20-Hydroxyecdysone

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  • Identifiers

    CAS number
    5289-74-7

    Molecular formula
    C27H44O7

    SMILES
    C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 56.64%
    Odorless 42.04%
    Sweet 37.83%
    Cooling 34.07%
    Mint 33.93%
    Balsamic 33.76%
    Amber 30.19%
    Camphoreous 29.16%
    Dry 27.07%
    Spicy 24.78%

     

    Flavor
    Bitter 63.02%
    Odorless 27.23%
    Minty 26.75%
    Sweet-like 23.87%
    Fatty 23.39%
    Cedarleaf 21.82%
    Herbal 20.85%
    Patchouli 20.29%
    Bland 20.25%
    Clary 20.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.36 (neutral)

    Molecular weight
    480.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    318°C

    Melting point expt.

    • 237.5 - 239.5 °C

    Flash point

    • 277.67 ˚C est.

  • Synonyms

    • 20-HYDROXYECDYSONE
    • 5289-74-7
    • Crustecdysone
    • beta-Ecdysone
    • Isoinokosterone
    • Commisterone
    • Crustecdyson
    • Ecdysteron
    • Viticosterone
    • THE-7
    • Ekdisten
    • 20-OH ecdysone
    • beta-ECDYSTERONE
    • Ecdysten
    • BIO101
    • 779A7KPL0Y
    • BIO-101
    • NSC-629484
    • Bio 101
    • DTXSID5040388
    • CHEBI:16587
    • (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
    • 2beta,3beta,14alpha,20,22R,25-hexahydroxy-5beta-cholest-7-en-6-one
    • Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2beta,3beta,5beta,22R)-
    • (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-6-one
    • RefChem:1064904
    • DTXCID3020388
    • 20-HYDROXY-ALPHA-ECDYSONE
    • Hydroxyecdysone
    • (2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
    • (+)-20-Hydroxyecdysone
    • MFCD00036740
    • b-Ecdysone
    • CHEMBL224128
    • 20-HYDROXY-.ALPHA.-ECDYSONE
    • C27H44O7
    • Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2.beta.,3.beta.,5.beta.,22R)-
    • beta-Ecdisone
    • (2b,3b,5b,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one
    • 2beta,3beta,14alpha,20R,22R,25-hexahydroxy-5beta-cholest-7-en-6-one
    • 20beta-hydroxyecdysone
    • (+)-Ecdysterone
    • (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
    • SMR000539832
    • UNII-779A7KPL0Y
    • Ecdystene
    • Sarconeos
    • (22R)-2beta,3beta,14,20,22,25-Hexahydroxy-5beta-cholest-7-en-6-one
    • .beta-Ecdysterone
    • 20-Hydroxyedysone
    • ?- Ecdysone
    • (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6(10H)-one
    • Beta-Ecdysterone CRS
    • NSC 629484
    • BRN 1917578
    • 20-Hydroxy-a-ecdysone
    • AI3-44727
    • Crustecdysone (Standard)
    • |A-ECDYSONE,2,3,14,20,22,25-HEXAHYDROXY-7-CHOLESTEN-6-ONE
    • Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2b,3b,5b,22R)-
    • SCHEMBL22086
    • MLS001164644
    • MLS002207226
    • BIO 101 [WHO-DD]
    • GTPL11987
    • HY-N6979R
    • 20-HYDROXYECDYSONE [MI]
    • GLXC-07082
    • HMS2230L09
    • BB_NC-01013
    • HY-N6979
    • MSK20382
    • 2-beta,3-beta,14,20,22,25-Hexahydroxy-5-beta-cholet-7-en-6-one
    • 20-HYDROXYECDYSONE [WHO-DD]
    • BDBM50326777
    • HB3718
    • LMST01010209
    • s2417
    • AKOS004120029
    • CCG-269554
    • EBC-618548
    • FH10452
    • (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
    • 20-E
    • 20E
    • AC-19603
    • AC-34796
    • SY076056
    • CS-0007134
    • NS00097285
    • 20-Hydroxyecdysone, >=93% (HPLC), powder
    • 289E747
    • Q423338
    • (2|A,3|A,5|A,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one
    • (2Beta,3beta,5beta)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
    • 2-beta,3-beta,14,20,22,25-Hexahydroxy-5-beta-cholet-7-en-6- one
    • (22R)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one
    • (2alpha,3alpha,5alpha,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
    • 5-beta-Cholest-7-en-6-one, 2-beta,3-beta,14,20,22,25-hexahydroxy-, (22R)-
    • Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2-beta,3-beta,5-beta,22R)-
    • (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one
    • 2,3,14-Trihydroxy-10,13-dimethyl-17-(1,2,5-trihydroxy-1,5-dimethyl-hexyl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-6-one
    • 5289-74-7

  • Applications

    20-Hydroxyecdysone (CAS 5289-74-7) is a phytoecdysteroid used primarily as a natural product scaffold and reference intermediate in steroid chemistry for pharmaceutical research; it is often evaluated as a lead compound in medicinal chemistry and as a biosynthetic precursor for steroid derivatives. The compound is also marketed in some regions as a dietary supplement (ecdysterone) and is studied for potential cosmetic applications as a bioactive ingredient in personal care formulations. In agricultural and plant biology research, phytoecdysteroids are explored for their roles in plant defense and their effects on pest biology, making 20-Hydroxyecdysone a subject of study in crop protection research. Additionally, it serves as a chemical precursor or starting material in laboratory-scale syntheses and as a standard reference in analytical workflows for steroid compounds. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.45
    methanol 156.43
    isopropanol 4.72
    water 0.49
    ethyl acetate 4.3
    n-propanol 9.41
    acetone 25.01
    n-butanol 3.23
    acetonitrile 4.68
    DMF 194.57
    toluene 1.43
    isobutanol 2.72
    1,4-dioxane 49.98
    methyl acetate 5.31
    THF 128.07
    2-butanone 7.26
    n-pentanol 3.5
    sec-butanol 1.58
    n-hexane 0.11
    ethylene glycol 22.68
    NMP 66.08
    cyclohexane 0.14
    DMSO 187.21
    n-butyl acetate 2.37
    n-octanol 2.7
    chloroform 5.09
    n-propyl acetate 3.24
    acetic acid 52.51
    dichloromethane 5.35
    cyclohexanone 11.26
    propylene glycol 16.15
    isopropyl acetate 2.76
    DMAc 68.43
    2-ethoxyethanol 50.32
    isopentanol 1.62
    n-heptane 0.12
    ethyl formate 6.49
    1,2-dichloroethane 3.46
    n-hexanol 2.79
    2-methoxyethanol 127.82
    isobutyl acetate 1.97
    tetrachloromethane 0.65
    n-pentyl acetate 3.93
    transcutol 44.79
    n-heptanol 3.38
    ethylbenzene 0.99
    MIBK 3.12
    2-propoxyethanol 48.84
    tert-butanol 2.38
    MTBE 1.29
    2-butoxyethanol 24.02
    propionic acid 6.31
    o-xylene 0.79
    formic acid 78.83
    diethyl ether 3.79
    m-xylene 1.0
    p-xylene 1.02
    chlorobenzene 1.48
    dimethyl carbonate 11.16
    n-octane 0.1
    formamide 79.84
    cyclopentanone 35.89
    2-pentanone 5.45
    anisole 5.26
    cyclopentyl methyl ether 9.23
    gamma-butyrolactone 39.48
    1-methoxy-2-propanol 47.9
    pyridine 19.11
    3-pentanone 3.56
    furfural 35.24
    n-dodecane 0.05
    diethylene glycol 64.03
    diisopropyl ether 0.54
    tert-amyl alcohol 1.11
    acetylacetone 16.17
    n-hexadecane 0.06
    acetophenone 5.87
    methyl propionate 7.16
    isopentyl acetate 1.94
    trichloroethylene 7.91
    n-nonanol 2.82
    cyclohexanol 1.65
    benzyl alcohol 7.88
    2-ethylhexanol 1.03
    isooctanol 2.05
    dipropyl ether 2.73
    1,2-dichlorobenzene 1.34
    ethyl lactate 5.2
    propylene carbonate 8.91
    n-methylformamide 73.91
    2-pentanol 1.01
    n-pentane 0.09
    1-propoxy-2-propanol 16.8
    1-methoxy-2-propyl acetate 8.84
    2-(2-methoxypropoxy) propanol 12.03
    mesitylene 0.55
    ε-caprolactone 10.57
    p-cymene 0.53
    epichlorohydrin 41.11
    1,1,1-trichloroethane 1.04
    2-aminoethanol 36.9
    morpholine-4-carbaldehyde 114.86
    sulfolane 59.03
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 10.33
    n-hexyl acetate 4.83
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 23.46
    sec-butyl acetate 1.51
    tert-butyl acetate 3.13
    decalin 0.09
    glycerin 46.68
    diglyme 43.76
    acrylic acid 11.79
    isopropyl myristate 1.14
    n-butyric acid 5.79
    acetyl acetate 4.3
    di(2-ethylhexyl) phthalate 2.56
    ethyl propionate 2.64
    nitromethane 71.11
    1,2-diethoxyethane 7.98
    benzonitrile 3.46
    trioctyl phosphate 1.64
    1-bromopropane 0.87
    gamma-valerolactone 99.56
    n-decanol 1.54
    triethyl phosphate 1.45
    4-methyl-2-pentanol 0.83
    propionitrile 2.5
    vinylene carbonate 11.28
    1,1,2-trichlorotrifluoroethane 41.27
    DMS 4.62
    cumene 0.61
    2-octanol 1.45
    2-hexanone 3.93
    octyl acetate 2.21
    limonene 0.56
    1,2-dimethoxyethane 52.33
    ethyl orthosilicate 1.38
    tributyl phosphate 1.3
    diacetone alcohol 8.55
    N,N-dimethylaniline 4.15
    acrylonitrile 5.85
    aniline 3.5
    1,3-propanediol 27.6
    bromobenzene 1.11
    dibromomethane 2.25
    1,1,2,2-tetrachloroethane 5.24
    2-methyl-cyclohexyl acetate 2.38
    tetrabutyl urea 2.69
    diisobutyl methanol 0.6
    2-phenylethanol 6.52
    styrene 1.06
    dioctyl adipate 2.55
    dimethyl sulfate 19.86
    ethyl butyrate 2.11
    methyl lactate 15.17
    butyl lactate 5.82
    diethyl carbonate 1.32
    propanediol butyl ether 22.37
    triethyl orthoformate 2.37
    p-tert-butyltoluene 0.52
    methyl 4-tert-butylbenzoate 6.98
    morpholine 59.54
    tert-butylamine 0.64
    n-dodecanol 0.85
    dimethoxymethane 104.14
    ethylene carbonate 7.44
    cyrene 23.9
    2-ethoxyethyl acetate 10.79
    2-ethylhexyl acetate 1.44
    1,2,4-trichlorobenzene 1.9
    4-methylpyridine 8.61
    dibutyl ether 1.45
    2,6-dimethyl-4-heptanol 0.6
    DEF 10.23
    dimethyl isosorbide 23.15
    tetrachloroethylene 4.57
    eugenol 11.2
    triacetin 7.23
    span 80 10.7
    1,4-butanediol 11.18
    1,1-dichloroethane 1.35
    2-methyl-1-pentanol 1.53
    methyl formate 53.95
    2-methyl-1-butanol 1.36
    n-decane 0.13
    butyronitrile 2.0
    3,7-dimethyl-1-octanol 1.3
    1-chlorooctane 0.56
    1-chlorotetradecane 0.16
    n-nonane 0.11
    undecane 0.08
    tert-butylcyclohexane 0.07
    cyclooctane 0.07
    cyclopentanol 4.49
    tetrahydropyran 10.97
    tert-amyl methyl ether 1.05
    2,5,8-trioxanonane 24.94
    1-hexene 0.49
    2-isopropoxyethanol 16.87
    2,2,2-trifluoroethanol 13.89
    methyl butyrate 3.65

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction