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

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  • Identifiers

    CAS number
    98665-21-5

    Molecular formula
    C30H44O6

    SMILES
    C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 70.42%
    Cedar 37.82%
    Amber 36.97%
    Dry 36.06%
    Odorless 34.2%
    Vetiver 26.59%
    Musk 25.71%
    Spicy 25.11%
    Cooling 24.35%
    Mint 24.31%

     

    Flavor
    Bitter 79.65%
    Odorless 24.43%
    Cedarleaf 22.39%
    Bland 22.1%
    Ripe apricot 20.42%
    Sweet-like 20.3%
    Heather 20.12%
    Red fruit 20.07%
    Parsley 20.07%
    Broom 19.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    4.77 (weak acid)

    Molecular weight
    500.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    204°C

    Flash point

    • 284.41 ˚C est.

  • Synonyms

    • (2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
    • (2R,6R)-6-((5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
    • RefChem:1049909
    • Ganolucidic acid A
    • 98665-21-5
    • Lanost-8-en-26-oic acid, 15-hydroxy-3,11,23-trioxo-, (15alpha,25R)-
    • 15-Hydroxy-3,11,23-trioxolanost-8-en-26-oic acid
    • M4J768CY9D
    • DTXSID30913139
    • CHEBI:168397
    • DA-63697
    • H50774
    • (15alpha,25R)-15-Hydroxy-3,11,23-trioxolanost-8-en-26-oic acid
    • (25R)-15alpha-Hydroxy-3,11,23-trioxolanost-8-en-26-oic acid
    • Lanost-8-en-26-oic acid, 15-hydroxy-3,11,23-trioxo-, (15.alpha.,25R)-
    • (2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxo-heptanoic acid
    • 1253643-85-4
    • 98665-21-5

  • Applications

    Chemical name: (2R,6R)-6-((5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid. CAS number: 98665-21-5. Primarily used as an advanced steroid intermediate in pharmaceutical synthesis, providing a chiral, polycyclic steroid framework with a functionalized side chain suitable for elaboration into semi-synthetic corticosteroids or other steroid drugs. In medicinal chemistry and drug development, it serves as a building block for structure–activity relationship (SAR) studies and as a starting material for preparing steroid derivatives with varied activity. In pharmaceutical manufacturing and process development, scalable routes to related drug substances can be explored from this scaffold. In analytical and quality-control workflows, it is used as a reference material or internal standard for method development and assay validation. In research laboratories, it supports steroid chemistry investigations and stereochemical studies. Additionally, it may be evaluated as a precursor for dermatological actives in cosmetics or personal care research, under appropriate regulatory controls. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.87
    methanol 66.69
    isopropanol 22.96
    water 0.04
    ethyl acetate 4.97
    n-propanol 35.48
    acetone 22.62
    n-butanol 14.43
    acetonitrile 6.26
    DMF 193.89
    toluene 2.55
    isobutanol 12.07
    1,4-dioxane 47.88
    methyl acetate 7.83
    THF 114.84
    2-butanone 15.14
    n-pentanol 9.06
    sec-butanol 7.27
    n-hexane 0.12
    ethylene glycol 9.94
    NMP 76.72
    cyclohexane 0.13
    DMSO 85.5
    n-butyl acetate 3.66
    n-octanol 1.8
    chloroform 20.44
    n-propyl acetate 3.82
    acetic acid 30.11
    dichloromethane 13.56
    cyclohexanone 21.12
    propylene glycol 16.52
    isopropyl acetate 3.51
    DMAc 78.16
    2-ethoxyethanol 42.01
    isopentanol 5.88
    n-heptane 0.06
    ethyl formate 6.55
    1,2-dichloroethane 7.24
    n-hexanol 6.58
    2-methoxyethanol 95.41
    isobutyl acetate 2.57
    tetrachloromethane 1.88
    n-pentyl acetate 4.46
    transcutol 25.74
    n-heptanol 3.63
    ethylbenzene 1.15
    MIBK 4.41
    2-propoxyethanol 56.34
    tert-butanol 8.57
    MTBE 2.85
    2-butoxyethanol 21.94
    propionic acid 11.97
    o-xylene 1.13
    formic acid 21.2
    diethyl ether 6.03
    m-xylene 1.27
    p-xylene 1.48
    chlorobenzene 3.44
    dimethyl carbonate 8.66
    n-octane 0.03
    formamide 28.82
    cyclopentanone 48.5
    2-pentanone 9.01
    anisole 4.68
    cyclopentyl methyl ether 10.29
    gamma-butyrolactone 46.62
    1-methoxy-2-propanol 56.79
    pyridine 28.78
    3-pentanone 5.91
    furfural 30.95
    n-dodecane 0.02
    diethylene glycol 43.47
    diisopropyl ether 0.66
    tert-amyl alcohol 4.14
    acetylacetone 10.97
    n-hexadecane 0.02
    acetophenone 5.47
    methyl propionate 9.32
    isopentyl acetate 3.3
    trichloroethylene 17.95
    n-nonanol 1.94
    cyclohexanol 4.25
    benzyl alcohol 9.26
    2-ethylhexanol 1.56
    isooctanol 2.23
    dipropyl ether 2.32
    1,2-dichlorobenzene 2.76
    ethyl lactate 4.87
    propylene carbonate 11.0
    n-methylformamide 64.66
    2-pentanol 3.48
    n-pentane 0.11
    1-propoxy-2-propanol 20.78
    1-methoxy-2-propyl acetate 10.35
    2-(2-methoxypropoxy) propanol 9.28
    mesitylene 0.56
    ε-caprolactone 16.87
    p-cymene 0.51
    epichlorohydrin 53.52
    1,1,1-trichloroethane 4.22
    2-aminoethanol 34.31
    morpholine-4-carbaldehyde 98.5
    sulfolane 53.66
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 18.56
    n-hexyl acetate 4.47
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 14.45
    sec-butyl acetate 1.97
    tert-butyl acetate 3.46
    decalin 0.08
    glycerin 26.13
    diglyme 27.98
    acrylic acid 13.63
    isopropyl myristate 0.87
    n-butyric acid 12.57
    acetyl acetate 3.8
    di(2-ethylhexyl) phthalate 2.89
    ethyl propionate 3.09
    nitromethane 37.45
    1,2-diethoxyethane 5.43
    benzonitrile 5.48
    trioctyl phosphate 1.62
    1-bromopropane 2.8
    gamma-valerolactone 98.98
    n-decanol 0.91
    triethyl phosphate 1.64
    4-methyl-2-pentanol 1.71
    propionitrile 6.85
    vinylene carbonate 13.25
    1,1,2-trichlorotrifluoroethane 35.79
    DMS 5.19
    cumene 0.67
    2-octanol 1.37
    2-hexanone 6.02
    octyl acetate 1.66
    limonene 0.6
    1,2-dimethoxyethane 40.89
    ethyl orthosilicate 1.56
    tributyl phosphate 1.39
    diacetone alcohol 9.67
    N,N-dimethylaniline 3.27
    acrylonitrile 11.33
    aniline 6.93
    1,3-propanediol 43.29
    bromobenzene 2.54
    dibromomethane 6.86
    1,1,2,2-tetrachloroethane 13.98
    2-methyl-cyclohexyl acetate 3.0
    tetrabutyl urea 2.54
    diisobutyl methanol 0.71
    2-phenylethanol 8.82
    styrene 1.38
    dioctyl adipate 2.37
    dimethyl sulfate 16.33
    ethyl butyrate 2.33
    methyl lactate 12.67
    butyl lactate 6.86
    diethyl carbonate 1.55
    propanediol butyl ether 15.33
    triethyl orthoformate 2.56
    p-tert-butyltoluene 0.48
    methyl 4-tert-butylbenzoate 6.58
    morpholine 78.9
    tert-butylamine 2.06
    n-dodecanol 0.44
    dimethoxymethane 75.88
    ethylene carbonate 9.18
    cyrene 17.77
    2-ethoxyethyl acetate 10.03
    2-ethylhexyl acetate 2.29
    1,2,4-trichlorobenzene 4.59
    4-methylpyridine 16.49
    dibutyl ether 0.92
    2,6-dimethyl-4-heptanol 0.71
    DEF 12.83
    dimethyl isosorbide 16.94
    tetrachloroethylene 9.47
    eugenol 9.19
    triacetin 5.98
    span 80 8.84
    1,4-butanediol 14.79
    1,1-dichloroethane 5.69
    2-methyl-1-pentanol 4.01
    methyl formate 30.06
    2-methyl-1-butanol 5.95
    n-decane 0.05
    butyronitrile 5.66
    3,7-dimethyl-1-octanol 1.16
    1-chlorooctane 0.4
    1-chlorotetradecane 0.09
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.07
    cyclooctane 0.04
    cyclopentanol 12.67
    tetrahydropyran 19.26
    tert-amyl methyl ether 2.03
    2,5,8-trioxanonane 14.95
    1-hexene 0.77
    2-isopropoxyethanol 16.21
    2,2,2-trifluoroethanol 10.31
    methyl butyrate 4.43

    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