(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

  • Identifiers

    Molecular formula
    C30H50O

    SMILES
    CC(CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

  • Odor profile

    Fragrance
    Woody 89.47%
    Amber 53.11%
    Sandalwood 51.66%
    Dry 47.48%
    Sweet 41.6%
    Cedar 38.05%
    Balsamic 37.48%
    Musk 37.2%
    Vetiver 35.29%
    Powdery 34.94%

     

    Flavor
    Woody 72.43%
    Sweet 43.27%
    Wood 41.92%
    Balsam 38.35%
    Pine 36.91%
    Dry 33.7%
    Camphor 33.47%
    Balsamic 29.75%
    Fresh 28.25%
    Spice 27.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.9

    pKa est.
    7.67 (neutral)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    506°C

    Flash point

    • 212.14 ˚C est.

  • Synonyms

    • SCHEMBL26859772
  • Applications

    For the compound (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, real-world applications are typically centered on its role as an intermediate in steroid synthesis and as a chiral building block for pharmaceutical research, development, and API manufacture. It may also be explored in fragrance and cosmetic research as a potential fragrance intermediate or precursor to aroma chemistry given its steroidal framework and terpenoid-like side chain. The compound could serve as a scaffold for specialty materials or further steroid-based chemistry in the industrial sector, and is sometimes studied in agricultural research as a lead for plant-growth-regulator-type investigations; all applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.03
    methanol 1.88
    isopropanol 6.64
    water 0.02
    ethyl acetate 12.21
    n-propanol 11.07
    acetone 11.01
    n-butanol 14.46
    acetonitrile 1.83
    DMF 15.14
    toluene 27.93
    isobutanol 9.7
    1,4-dioxane 27.43
    methyl acetate 6.95
    THF 45.95
    2-butanone 14.01
    n-pentanol 10.39
    sec-butanol 5.87
    n-hexane 1.74
    ethylene glycol 0.38
    NMP 25.49
    cyclohexane 1.99
    DMSO 4.38
    n-butyl acetate 17.44
    n-octanol 9.09
    chloroform 34.38
    n-propyl acetate 10.66
    acetic acid 4.4
    dichloromethane 18.05
    cyclohexanone 27.18
    propylene glycol 1.03
    isopropyl acetate 17.11
    DMAc 28.89
    2-ethoxyethanol 12.4
    isopentanol 15.23
    n-heptane 2.09
    ethyl formate 3.45
    1,2-dichloroethane 11.73
    n-hexanol 14.72
    2-methoxyethanol 12.17
    isobutyl acetate 14.08
    tetrachloromethane 7.88
    n-pentyl acetate 24.91
    transcutol 59.21
    n-heptanol 15.54
    ethylbenzene 11.98
    MIBK 19.87
    2-propoxyethanol 35.86
    tert-butanol 7.09
    MTBE 12.71
    2-butoxyethanol 33.44
    propionic acid 4.48
    o-xylene 15.27
    formic acid 1.05
    diethyl ether 16.58
    m-xylene 22.17
    p-xylene 13.29
    chlorobenzene 19.25
    dimethyl carbonate 6.67
    n-octane 0.67
    formamide 1.59
    cyclopentanone 27.35
    2-pentanone 18.2
    anisole 24.69
    cyclopentyl methyl ether 26.42
    gamma-butyrolactone 18.71
    1-methoxy-2-propanol 18.49
    pyridine 26.5
    3-pentanone 15.41
    furfural 17.12
    n-dodecane 0.32
    diethylene glycol 9.67
    diisopropyl ether 8.76
    tert-amyl alcohol 6.25
    acetylacetone 20.41
    n-hexadecane 0.41
    acetophenone 19.7
    methyl propionate 12.46
    isopentyl acetate 25.26
    trichloroethylene 28.4
    n-nonanol 11.74
    cyclohexanol 9.75
    benzyl alcohol 13.19
    2-ethylhexanol 12.38
    isooctanol 14.89
    dipropyl ether 19.24
    1,2-dichlorobenzene 18.65
    ethyl lactate 5.99
    propylene carbonate 11.29
    n-methylformamide 3.8
    2-pentanol 9.38
    n-pentane 1.93
    1-propoxy-2-propanol 30.98
    1-methoxy-2-propyl acetate 34.91
    2-(2-methoxypropoxy) propanol 27.17
    mesitylene 13.12
    ε-caprolactone 24.79
    p-cymene 11.39
    epichlorohydrin 23.53
    1,1,1-trichloroethane 16.33
    2-aminoethanol 2.07
    morpholine-4-carbaldehyde 33.45
    sulfolane 18.16
    2,2,4-trimethylpentane 1.44
    2-methyltetrahydrofuran 21.57
    n-hexyl acetate 24.31
    isooctane 1.61
    2-(2-butoxyethoxy)ethanol 35.42
    sec-butyl acetate 12.15
    tert-butyl acetate 23.57
    decalin 2.0
    glycerin 2.14
    diglyme 57.58
    acrylic acid 3.31
    isopropyl myristate 10.19
    n-butyric acid 12.05
    acetyl acetate 10.14
    di(2-ethylhexyl) phthalate 13.8
    ethyl propionate 11.62
    nitromethane 6.01
    1,2-diethoxyethane 24.16
    benzonitrile 10.77
    trioctyl phosphate 8.92
    1-bromopropane 10.36
    gamma-valerolactone 44.37
    n-decanol 7.12
    triethyl phosphate 10.87
    4-methyl-2-pentanol 9.77
    propionitrile 5.22
    vinylene carbonate 11.53
    1,1,2-trichlorotrifluoroethane 14.49
    DMS 14.65
    cumene 9.56
    2-octanol 8.34
    2-hexanone 14.44
    octyl acetate 11.68
    limonene 11.65
    1,2-dimethoxyethane 25.09
    ethyl orthosilicate 13.72
    tributyl phosphate 8.12
    diacetone alcohol 19.21
    N,N-dimethylaniline 21.09
    acrylonitrile 4.51
    aniline 17.96
    1,3-propanediol 5.79
    bromobenzene 23.37
    dibromomethane 13.53
    1,1,2,2-tetrachloroethane 24.4
    2-methyl-cyclohexyl acetate 20.4
    tetrabutyl urea 13.01
    diisobutyl methanol 9.61
    2-phenylethanol 22.83
    styrene 12.59
    dioctyl adipate 15.47
    dimethyl sulfate 9.44
    ethyl butyrate 15.68
    methyl lactate 6.03
    butyl lactate 18.38
    diethyl carbonate 9.52
    propanediol butyl ether 16.79
    triethyl orthoformate 19.68
    p-tert-butyltoluene 11.92
    methyl 4-tert-butylbenzoate 34.62
    morpholine 29.83
    tert-butylamine 5.98
    n-dodecanol 4.27
    dimethoxymethane 22.89
    ethylene carbonate 9.98
    cyrene 21.72
    2-ethoxyethyl acetate 33.65
    2-ethylhexyl acetate 21.94
    1,2,4-trichlorobenzene 24.73
    4-methylpyridine 27.56
    dibutyl ether 9.77
    2,6-dimethyl-4-heptanol 9.61
    DEF 18.08
    dimethyl isosorbide 46.27
    tetrachloroethylene 16.8
    eugenol 32.51
    triacetin 24.5
    span 80 22.95
    1,4-butanediol 2.34
    1,1-dichloroethane 12.08
    2-methyl-1-pentanol 11.47
    methyl formate 2.57
    2-methyl-1-butanol 12.19
    n-decane 0.97
    butyronitrile 7.22
    3,7-dimethyl-1-octanol 10.39
    1-chlorooctane 5.2
    1-chlorotetradecane 1.35
    n-nonane 0.8
    undecane 0.52
    tert-butylcyclohexane 2.18
    cyclooctane 1.19
    cyclopentanol 7.52
    tetrahydropyran 26.37
    tert-amyl methyl ether 11.01
    2,5,8-trioxanonane 37.17
    1-hexene 5.65
    2-isopropoxyethanol 13.22
    2,2,2-trifluoroethanol 2.34
    methyl butyrate 11.81

    Scent© AI

1 of 4
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