6-[(3S,5R,7S,10S,13R,14R,17S)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid

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  • Identifiers

    CAS number
    98665-20-4

    Molecular formula
    C30H44O8

    SMILES
    CC(CC(=O)CC(C)([C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C)O)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 58.42%
    Odorless 39.58%
    Dry 31.32%
    Amber 29.45%
    Cedar 29.29%
    Cooling 26.9%
    Mint 26.07%
    Sweet 25.73%
    Balsamic 24.69%
    Musk 24.41%

     

    Flavor
    Bitter 82.88%
    Odorless 29.25%
    Bland 24.39%
    Sweet-like 22.13%
    Cedarleaf 21.77%
    Ripe apricot 20.23%
    Red fruit 20.02%
    Parsley 19.89%
    Heather 19.87%
    Broom 19.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    4.71 (weak acid)

    Molecular weight
    532.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    372°C

    Flash point

    • 302.0 ˚C est.

  • Synonyms

    • Ganoderic acid I
    • 98665-20-4
    • 6-[(3S,5R,7S,10S,13R,14R,17S)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
    • (6R)-6-[(3R,7R,10R,13S,14S,17R)-3,7-Dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
    • SCHEMBL29479779
    • CHEBI:173123
    • 6-(3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-4-oxoheptanoic acid
    • FG74492
    • 98665-20-4

  • Applications

    6-[(3S,5R,7S,10S,13R,14R,17S)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid (CAS number: 98665-20-4) is a steroidal framework commonly used as an intermediate in the synthesis of corticosteroids and related drugs; it also serves as a chiral building block for asymmetric steroid chemistry; in analytical laboratories it can function as a reference material for steroid analysis and quality control; in research settings it supports medicinal chemistry studies, including structure-activity exploration and receptor-binding investigations; and it is frequently evaluated as a scaffold for designing novel corticosteroid derivatives in drug discovery programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.34
    methanol 68.83
    isopropanol 13.58
    water 0.06
    ethyl acetate 3.39
    n-propanol 20.19
    acetone 20.05
    n-butanol 8.91
    acetonitrile 5.58
    DMF 124.43
    toluene 0.62
    isobutanol 6.59
    1,4-dioxane 28.68
    methyl acetate 6.41
    THF 97.75
    2-butanone 11.16
    n-pentanol 5.56
    sec-butanol 4.74
    n-hexane 0.06
    ethylene glycol 10.82
    NMP 63.99
    cyclohexane 0.06
    DMSO 143.38
    n-butyl acetate 2.55
    n-octanol 1.26
    chloroform 11.84
    n-propyl acetate 2.9
    acetic acid 37.1
    dichloromethane 8.83
    cyclohexanone 14.31
    propylene glycol 15.24
    isopropyl acetate 1.89
    DMAc 67.94
    2-ethoxyethanol 33.12
    isopentanol 3.36
    n-heptane 0.03
    ethyl formate 6.93
    1,2-dichloroethane 4.92
    n-hexanol 3.18
    2-methoxyethanol 82.07
    isobutyl acetate 1.43
    tetrachloromethane 0.97
    n-pentyl acetate 2.52
    transcutol 17.25
    n-heptanol 2.13
    ethylbenzene 0.37
    MIBK 2.28
    2-propoxyethanol 33.3
    tert-butanol 5.12
    MTBE 1.4
    2-butoxyethanol 13.97
    propionic acid 9.61
    o-xylene 0.33
    formic acid 33.63
    diethyl ether 3.09
    m-xylene 0.34
    p-xylene 0.46
    chlorobenzene 1.1
    dimethyl carbonate 6.16
    n-octane 0.02
    formamide 39.45
    cyclopentanone 40.23
    2-pentanone 5.58
    anisole 2.14
    cyclopentyl methyl ether 4.79
    gamma-butyrolactone 40.74
    1-methoxy-2-propanol 37.68
    pyridine 15.73
    3-pentanone 3.45
    furfural 24.52
    n-dodecane 0.01
    diethylene glycol 31.76
    diisopropyl ether 0.26
    tert-amyl alcohol 2.71
    acetylacetone 7.52
    n-hexadecane 0.01
    acetophenone 3.0
    methyl propionate 5.77
    isopentyl acetate 1.96
    trichloroethylene 10.4
    n-nonanol 1.26
    cyclohexanol 2.36
    benzyl alcohol 4.61
    2-ethylhexanol 0.77
    isooctanol 1.2
    dipropyl ether 1.13
    1,2-dichlorobenzene 0.99
    ethyl lactate 3.39
    propylene carbonate 8.55
    n-methylformamide 53.87
    2-pentanol 1.88
    n-pentane 0.06
    1-propoxy-2-propanol 11.64
    1-methoxy-2-propyl acetate 5.42
    2-(2-methoxypropoxy) propanol 6.41
    mesitylene 0.16
    ε-caprolactone 11.79
    p-cymene 0.18
    epichlorohydrin 41.35
    1,1,1-trichloroethane 1.99
    2-aminoethanol 26.82
    morpholine-4-carbaldehyde 66.4
    sulfolane 53.1
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 12.11
    n-hexyl acetate 2.73
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.79
    sec-butyl acetate 1.11
    tert-butyl acetate 1.66
    decalin 0.04
    glycerin 29.05
    diglyme 19.65
    acrylic acid 12.23
    isopropyl myristate 0.49
    n-butyric acid 8.89
    acetyl acetate 2.36
    di(2-ethylhexyl) phthalate 1.62
    ethyl propionate 2.22
    nitromethane 48.88
    1,2-diethoxyethane 3.19
    benzonitrile 2.62
    trioctyl phosphate 0.98
    1-bromopropane 1.6
    gamma-valerolactone 76.62
    n-decanol 0.61
    triethyl phosphate 1.02
    4-methyl-2-pentanol 0.8
    propionitrile 4.17
    vinylene carbonate 9.4
    1,1,2-trichlorotrifluoroethane 33.41
    DMS 3.01
    cumene 0.23
    2-octanol 0.79
    2-hexanone 4.11
    octyl acetate 1.02
    limonene 0.24
    1,2-dimethoxyethane 33.19
    ethyl orthosilicate 0.89
    tributyl phosphate 0.91
    diacetone alcohol 5.94
    N,N-dimethylaniline 1.47
    acrylonitrile 7.91
    aniline 2.42
    1,3-propanediol 34.11
    bromobenzene 0.73
    dibromomethane 4.06
    1,1,2,2-tetrachloroethane 8.73
    2-methyl-cyclohexyl acetate 1.61
    tetrabutyl urea 1.74
    diisobutyl methanol 0.32
    2-phenylethanol 3.9
    styrene 0.41
    dioctyl adipate 1.41
    dimethyl sulfate 12.55
    ethyl butyrate 1.53
    methyl lactate 10.07
    butyl lactate 3.92
    diethyl carbonate 1.02
    propanediol butyl ether 10.89
    triethyl orthoformate 1.46
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 3.57
    morpholine 46.6
    tert-butylamine 0.97
    n-dodecanol 0.3
    dimethoxymethane 47.6
    ethylene carbonate 6.85
    cyrene 13.32
    2-ethoxyethyl acetate 5.86
    2-ethylhexyl acetate 1.31
    1,2,4-trichlorobenzene 1.63
    4-methylpyridine 6.89
    dibutyl ether 0.57
    2,6-dimethyl-4-heptanol 0.32
    DEF 8.88
    dimethyl isosorbide 10.55
    tetrachloroethylene 5.49
    eugenol 5.14
    triacetin 3.56
    span 80 5.45
    1,4-butanediol 10.64
    1,1-dichloroethane 2.91
    2-methyl-1-pentanol 2.38
    methyl formate 30.27
    2-methyl-1-butanol 3.5
    n-decane 0.03
    butyronitrile 3.52
    3,7-dimethyl-1-octanol 0.66
    1-chlorooctane 0.25
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.02
    cyclopentanol 7.91
    tetrahydropyran 9.89
    tert-amyl methyl ether 1.06
    2,5,8-trioxanonane 10.4
    1-hexene 0.37
    2-isopropoxyethanol 10.56
    2,2,2-trifluoroethanol 10.82
    methyl butyrate 3.56

    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