Oridonin

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  • Identifiers

    CAS number
    28957-04-2

    Molecular formula
    C20H28O6

    SMILES
    CC1(CC[C@@H]([C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)O)C

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 48.81%
    Woody 39.98%
    Sweet 37.83%
    Spicy 33.28%
    Mint 28.2%
    Cooling 27.81%
    Camphoreous 27.61%
    Herbal 21.37%
    Balsamic 20.38%
    Phenolic 20.23%

     

    Flavor
    Bitter 89.62%
    Cedarleaf 22.29%
    Sweet-like 22.09%
    Bland 20.26%
    Lovage 19.66%
    Ripe apricot 19.44%
    Patchouli 19.29%
    Fatty 19.25%
    Red fruit 19.01%
    Beet 19.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    7.3 (neutral)

    Molecular weight
    364.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    374°C

    Flash point

    • 207.73 ˚C est.

  • Synonyms

    • Oridonin
    • 28957-04-2
    • Oridonine
    • ISODONOL
    • lasidonin
    • PURE ORIDONIN
    • 0APJ98UCLQ
    • DTXSID201021760
    • NSC-250682
    • CHEBI:138236
    • Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-, (1alpha,6beta,7alpha,14R)-
    • (1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
    • (1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo(7.6.2.15,8.01,11.02,8)octadecan-7-one
    • RefChem:168506
    • DTXCID801506730
    • 631-100-8
    • (1S,2S,5S,8R,9R,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo(7.6.2.15,8.01,11.02,8)octadecan-7-one
    • 9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo(7.6.2.15,8.01,11.02,8)octadecan-7-one
    • Rubescensin A
    • CHEMBL1164920
    • NSC-250682; Isodonol
    • UNII-0APJ98UCLQ
    • Rubescensin;
    • (14R)-7-alpha,20-Epoxy-1-alpha,6-beta,7,14-tetrahydroxykaur-16-en-15-one
    • Oridonin (Standard)
    • NSC 250682
    • Curator_000006
    • 7a,20-Epoxy-1a,6b,7,14-tetrahydroxy-Kaur-16-en-15-one
    • Oridonin - Bio-X trade mark
    • SCHEMBL19217133
    • GTPL13088
    • HY-N0004R
    • HY-N0004
    • BDBM50605174
    • AKOS025310967
    • CCG-208386
    • EBC-157229
    • FO09522
    • (1-alpha,6-beta,7-alpha,14R)-7,20-Epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one
    • AS-15421
    • BO300107
    • CS-0007086
    • O0387
    • H10339
    • 957O042
    • Q27236543
    • Z2037317501
    • (1alpha,6beta,7alpha,14R)-7,20-epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one
    • KAUR-16-EN-15-ONE, 7-alpha,20-EPOXY-1-alpha,6-beta,7,14-TETRAHYDROXY-, (14R)-
    • (1|A,6|A,7|A,14R)-1,5,6,14-Tetrahydroxy-4,4-dimethyl-8-methylenedecahydro-1H-6,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-7(8H)-one
    • (1alpha,5beta,6beta,7alpha,8alpha,9beta,10alpha,13alpha,14R)-1,6,7,14-tetrahydroxy-7,20-epoxykaur-16-en-15-one
    • (1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
    • (1S,4aR,5S,6S,6aR,9S,11aS,11bS,14R)-1,5,6,14-tetrahydroxy-4,4-dimethyl-8-methylenedecahydro-1H-6,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-7(8H)-one
    • KAUR-16-EN-15-ONE, 7,20-EPOXY-1,6,7,14-TETRAHYDROXY-, (1.ALPHA.,6.BETA.,7.ALPHA.,14R)-
    • KAUR-16-EN-15-ONE, 7.ALPHA.,20-EPOXY-1.ALPHA.,6.BETA.,7,14-TETRAHYDROXY-, (14R)-
    • 28957-04-2

  • Applications

    Oridonin (CAS 28957-04-2) is a natural ent-kaurane diterpenoid primarily used in pharmaceutical research as a bioactive lead compound and as a scaffold for semi-synthetic derivatives. In synthetic chemistry, it often serves as a starting material or building block in medicinal chemistry routes to develop and optimize analogs. Sourcing from natural plant materials supports research and analytical work, with roles as a reference standard and quality-control material in natural product supply chains. In R&D settings, Oridonin is evaluated for bioactivity profiling to inform drug-design programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.39
    methanol 49.36
    isopropanol 9.5
    water 0.47
    ethyl acetate 7.31
    n-propanol 9.87
    acetone 18.94
    n-butanol 9.97
    acetonitrile 6.08
    DMF 77.2
    toluene 3.5
    isobutanol 5.85
    1,4-dioxane 24.89
    methyl acetate 7.9
    THF 78.04
    2-butanone 12.49
    n-pentanol 4.51
    sec-butanol 3.72
    n-hexane 0.1
    ethylene glycol 14.16
    NMP 62.73
    cyclohexane 0.29
    DMSO 100.84
    n-butyl acetate 7.8
    n-octanol 2.15
    chloroform 12.84
    n-propyl acetate 4.7
    acetic acid 23.51
    dichloromethane 9.38
    cyclohexanone 31.0
    propylene glycol 9.96
    isopropyl acetate 6.43
    DMAc 42.07
    2-ethoxyethanol 17.67
    isopentanol 7.31
    n-heptane 0.15
    ethyl formate 10.61
    1,2-dichloroethane 8.17
    n-hexanol 7.17
    2-methoxyethanol 60.2
    isobutyl acetate 3.47
    tetrachloromethane 2.71
    n-pentyl acetate 7.12
    transcutol 11.85
    n-heptanol 4.79
    ethylbenzene 1.43
    MIBK 8.44
    2-propoxyethanol 35.54
    tert-butanol 7.84
    MTBE 1.55
    2-butoxyethanol 18.47
    propionic acid 9.62
    o-xylene 2.37
    formic acid 39.54
    diethyl ether 3.25
    m-xylene 3.02
    p-xylene 1.88
    chlorobenzene 4.46
    dimethyl carbonate 13.79
    n-octane 0.08
    formamide 43.61
    cyclopentanone 57.75
    2-pentanone 12.76
    anisole 3.37
    cyclopentyl methyl ether 11.95
    gamma-butyrolactone 54.61
    1-methoxy-2-propanol 40.22
    pyridine 17.48
    3-pentanone 7.84
    furfural 42.69
    n-dodecane 0.06
    diethylene glycol 45.67
    diisopropyl ether 0.86
    tert-amyl alcohol 3.09
    acetylacetone 20.41
    n-hexadecane 0.08
    acetophenone 7.87
    methyl propionate 11.21
    isopentyl acetate 7.07
    trichloroethylene 18.08
    n-nonanol 2.43
    cyclohexanol 6.78
    benzyl alcohol 7.8
    2-ethylhexanol 3.08
    isooctanol 3.55
    dipropyl ether 2.34
    1,2-dichlorobenzene 4.63
    ethyl lactate 7.66
    propylene carbonate 20.43
    n-methylformamide 43.69
    2-pentanol 3.66
    n-pentane 0.17
    1-propoxy-2-propanol 17.64
    1-methoxy-2-propyl acetate 16.6
    2-(2-methoxypropoxy) propanol 9.8
    mesitylene 1.8
    ε-caprolactone 19.91
    p-cymene 1.82
    epichlorohydrin 47.97
    1,1,1-trichloroethane 5.05
    2-aminoethanol 16.15
    morpholine-4-carbaldehyde 58.31
    sulfolane 79.8
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 13.37
    n-hexyl acetate 6.26
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 12.08
    sec-butyl acetate 3.02
    tert-butyl acetate 6.77
    decalin 0.19
    glycerin 34.11
    diglyme 23.38
    acrylic acid 13.9
    isopropyl myristate 2.15
    n-butyric acid 15.32
    acetyl acetate 8.23
    di(2-ethylhexyl) phthalate 4.93
    ethyl propionate 4.6
    nitromethane 40.96
    1,2-diethoxyethane 4.12
    benzonitrile 8.46
    trioctyl phosphate 4.44
    1-bromopropane 2.66
    gamma-valerolactone 76.2
    n-decanol 1.55
    triethyl phosphate 4.05
    4-methyl-2-pentanol 2.99
    propionitrile 6.56
    vinylene carbonate 21.93
    1,1,2-trichlorotrifluoroethane 43.39
    DMS 8.19
    cumene 1.2
    2-octanol 1.95
    2-hexanone 5.92
    octyl acetate 3.35
    limonene 2.12
    1,2-dimethoxyethane 22.56
    ethyl orthosilicate 3.3
    tributyl phosphate 3.69
    diacetone alcohol 16.76
    N,N-dimethylaniline 3.23
    acrylonitrile 12.99
    aniline 6.77
    1,3-propanediol 27.95
    bromobenzene 3.59
    dibromomethane 5.14
    1,1,2,2-tetrachloroethane 14.66
    2-methyl-cyclohexyl acetate 5.88
    tetrabutyl urea 5.77
    diisobutyl methanol 1.95
    2-phenylethanol 11.18
    styrene 1.38
    dioctyl adipate 4.12
    dimethyl sulfate 27.68
    ethyl butyrate 5.23
    methyl lactate 21.68
    butyl lactate 9.1
    diethyl carbonate 3.67
    propanediol butyl ether 11.16
    triethyl orthoformate 4.38
    p-tert-butyltoluene 1.71
    methyl 4-tert-butylbenzoate 10.55
    morpholine 29.1
    tert-butylamine 1.83
    n-dodecanol 0.98
    dimethoxymethane 50.63
    ethylene carbonate 18.02
    cyrene 22.63
    2-ethoxyethyl acetate 10.89
    2-ethylhexyl acetate 5.17
    1,2,4-trichlorobenzene 6.35
    4-methylpyridine 12.11
    dibutyl ether 1.05
    2,6-dimethyl-4-heptanol 1.95
    DEF 14.14
    dimethyl isosorbide 22.77
    tetrachloroethylene 12.2
    eugenol 12.75
    triacetin 8.47
    span 80 10.17
    1,4-butanediol 9.06
    1,1-dichloroethane 5.08
    2-methyl-1-pentanol 3.22
    methyl formate 37.79
    2-methyl-1-butanol 4.88
    n-decane 0.12
    butyronitrile 6.45
    3,7-dimethyl-1-octanol 2.15
    1-chlorooctane 0.75
    1-chlorotetradecane 0.29
    n-nonane 0.09
    undecane 0.08
    tert-butylcyclohexane 0.15
    cyclooctane 0.14
    cyclopentanol 13.24
    tetrahydropyran 11.28
    tert-amyl methyl ether 1.56
    2,5,8-trioxanonane 15.97
    1-hexene 0.48
    2-isopropoxyethanol 8.92
    2,2,2-trifluoroethanol 17.87
    methyl butyrate 6.75

    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