(1a(2)S,2a(2)R,4a(2)aR,4a(2)bR,7a(2)S,8a(2)aR,10a(2)aR)-2a(2)-[(1R,2S)-2-(Acetyloxy)-3-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]-1-methylpropyl]-7a(2)-(I(2)-D-glucopyranosyloxy)dodecahydro-4a(2)b,8a(2),8a(2),10a(2)a-tetramethylspiro[furan-3(2H),1a(2)(2a(2)H)-phenanthren]-5(4H)-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    171499-80-2

    Molecular formula
    C38H58O12

    SMILES
    CC1=C[C@H](OC1=O)C[C@@H]([C@H](C)[C@H]2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3([C@]25CC(=O)OC5)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 46.64%
    Woody 43.73%
    Spicy 29.17%
    Amber 26.77%
    Sweet 26.35%
    Balsamic 25.21%
    Dry 23.98%
    Mint 23.49%
    Lactonic 23.28%
    Cooling 23.05%

     

    Flavor
    Bitter 72.92%
    Bland 24.0%
    Sweet-like 23.21%
    Cedarleaf 23.03%
    Odorless 22.13%
    Fatty 21.63%
    Ripe apricot 21.06%
    Parsley 20.55%
    Red fruit 20.54%
    Old wood 20.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    3.88 (weak acid)

    Molecular weight
    706.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    310°C

    Flash point

    • 248.43 ˚C est.

  • Synonyms

    • DTXSID901098057
    • (1a(2)S,2a(2)R,4a(2)aR,4a(2)bR,7a(2)S,8a(2)aR,10a(2)aR)-2a(2)-[(1R,2S)-2-(Acetyloxy)-3-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]-1-methylpropyl]-7a(2)-(I(2)-D-glucopyranosyloxy)dodecahydro-4a(2)b,8a(2),8a(2),10a(2)a-tetramethylspiro[furan-3(2H),1a(2)(2a(2)H)-phenanthren]-5(4H)-one
    • 171499-80-2
    • 171499-80-2

  • Applications

    Chemical name: (1a(2)S,2a(2)R,4a(2)aR,4a(2)bR,7a(2)S,8a(2)aR,10a(2)aR)-2a(2)-[(1R,2S)-2-(Acetyloxy)-3-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]-1-methylpropyl]-7a(2)-(I(2)-D-glucopyranosyloxy)dodecahydro-4a(2)b,8a(2),8a(2),10a(2)a-tetramethylspiro[furan-3(2H),1a(2)(2a(2)H)-phenanthren]-5(4H)-one; CAS number: 171499-80-2. The compound is a highly substituted glycosylated steroid framework encountered primarily as an advanced intermediate and chiral building block in pharmaceutical synthesis, enabling downstream glycosylation and functionalization to access steroidal drugs and analogs. It is also of interest in research and development as a reference substrate for glycoside conjugation chemistry and stereochemical studies. Additionally, it may be evaluated for cosmetic or personal care formulations as a potential bioactive scaffold, though these uses require regulatory compliance, and in industrial manufacturing contexts it can serve as a specialized starting material for the preparation of more complex molecules, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.17
    methanol 83.1
    isopropanol 5.79
    water 0.11
    ethyl acetate 18.75
    n-propanol 12.0
    acetone 31.67
    n-butanol 5.59
    acetonitrile 11.81
    DMF 208.51
    toluene 3.42
    isobutanol 4.1
    1,4-dioxane 44.0
    methyl acetate 20.4
    THF 103.7
    2-butanone 18.93
    n-pentanol 3.41
    sec-butanol 3.21
    n-hexane 0.07
    ethylene glycol 13.7
    NMP 208.7
    cyclohexane 0.12
    DMSO 155.27
    n-butyl acetate 4.53
    n-octanol 1.88
    chloroform 56.29
    n-propyl acetate 6.05
    acetic acid 190.7
    dichloromethane 48.35
    cyclohexanone 27.49
    propylene glycol 16.06
    isopropyl acetate 8.41
    DMAc 155.42
    2-ethoxyethanol 43.53
    isopentanol 2.61
    n-heptane 0.07
    ethyl formate 19.42
    1,2-dichloroethane 19.13
    n-hexanol 2.34
    2-methoxyethanol 125.0
    isobutyl acetate 2.8
    tetrachloromethane 3.76
    n-pentyl acetate 6.21
    transcutol 39.85
    n-heptanol 2.52
    ethylbenzene 1.05
    MIBK 5.49
    2-propoxyethanol 42.11
    tert-butanol 3.25
    MTBE 2.62
    2-butoxyethanol 22.19
    propionic acid 26.68
    o-xylene 1.65
    formic acid 120.09
    diethyl ether 5.3
    m-xylene 1.72
    p-xylene 1.17
    chlorobenzene 6.95
    dimethyl carbonate 34.97
    n-octane 0.04
    formamide 115.84
    cyclopentanone 75.7
    2-pentanone 14.11
    anisole 6.87
    cyclopentyl methyl ether 13.39
    gamma-butyrolactone 126.15
    1-methoxy-2-propanol 61.28
    pyridine 40.78
    3-pentanone 10.7
    furfural 96.5
    n-dodecane 0.03
    diethylene glycol 44.51
    diisopropyl ether 0.73
    tert-amyl alcohol 2.42
    acetylacetone 36.76
    n-hexadecane 0.04
    acetophenone 10.83
    methyl propionate 27.44
    isopentyl acetate 3.52
    trichloroethylene 72.44
    n-nonanol 2.09
    cyclohexanol 3.11
    benzyl alcohol 9.35
    2-ethylhexanol 0.94
    isooctanol 1.63
    dipropyl ether 2.24
    1,2-dichlorobenzene 6.99
    ethyl lactate 9.05
    propylene carbonate 38.9
    n-methylformamide 129.08
    2-pentanol 1.92
    n-pentane 0.09
    1-propoxy-2-propanol 15.23
    1-methoxy-2-propyl acetate 16.92
    2-(2-methoxypropoxy) propanol 12.95
    mesitylene 0.69
    ε-caprolactone 33.47
    p-cymene 0.59
    epichlorohydrin 117.62
    1,1,1-trichloroethane 11.38
    2-aminoethanol 29.91
    morpholine-4-carbaldehyde 182.83
    sulfolane 159.35
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 18.6
    n-hexyl acetate 6.5
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 19.11
    sec-butyl acetate 3.02
    tert-butyl acetate 6.74
    decalin 0.07
    glycerin 49.58
    diglyme 43.52
    acrylic acid 52.39
    isopropyl myristate 1.25
    n-butyric acid 30.81
    acetyl acetate 21.86
    di(2-ethylhexyl) phthalate 3.24
    ethyl propionate 6.67
    nitromethane 240.39
    1,2-diethoxyethane 6.46
    benzonitrile 7.06
    trioctyl phosphate 1.96
    1-bromopropane 3.95
    gamma-valerolactone 212.63
    n-decanol 1.08
    triethyl phosphate 2.86
    4-methyl-2-pentanol 1.09
    propionitrile 7.27
    vinylene carbonate 48.04
    1,1,2-trichlorotrifluoroethane 146.12
    DMS 10.93
    cumene 0.56
    2-octanol 1.02
    2-hexanone 4.9
    octyl acetate 2.63
    limonene 0.79
    1,2-dimethoxyethane 38.81
    ethyl orthosilicate 2.26
    tributyl phosphate 1.8
    diacetone alcohol 15.5
    N,N-dimethylaniline 4.23
    acrylonitrile 19.77
    aniline 8.59
    1,3-propanediol 33.57
    bromobenzene 5.85
    dibromomethane 17.76
    1,1,2,2-tetrachloroethane 40.7
    2-methyl-cyclohexyl acetate 3.63
    tetrabutyl urea 3.01
    diisobutyl methanol 0.51
    2-phenylethanol 7.09
    styrene 1.41
    dioctyl adipate 3.63
    dimethyl sulfate 70.37
    ethyl butyrate 3.97
    methyl lactate 38.03
    butyl lactate 8.56
    diethyl carbonate 2.95
    propanediol butyl ether 18.51
    triethyl orthoformate 3.61
    p-tert-butyltoluene 0.57
    methyl 4-tert-butylbenzoate 11.57
    morpholine 60.56
    tert-butylamine 0.78
    n-dodecanol 0.56
    dimethoxymethane 100.54
    ethylene carbonate 30.01
    cyrene 30.26
    2-ethoxyethyl acetate 18.83
    2-ethylhexyl acetate 2.47
    1,2,4-trichlorobenzene 11.21
    4-methylpyridine 21.23
    dibutyl ether 1.04
    2,6-dimethyl-4-heptanol 0.51
    DEF 27.02
    dimethyl isosorbide 25.85
    tetrachloroethylene 26.99
    eugenol 12.39
    triacetin 16.77
    span 80 12.38
    1,4-butanediol 8.6
    1,1-dichloroethane 12.34
    2-methyl-1-pentanol 1.76
    methyl formate 90.7
    2-methyl-1-butanol 2.73
    n-decane 0.08
    butyronitrile 4.82
    3,7-dimethyl-1-octanol 1.18
    1-chlorooctane 0.59
    1-chlorotetradecane 0.15
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.05
    cyclooctane 0.06
    cyclopentanol 8.39
    tetrahydropyran 13.11
    tert-amyl methyl ether 2.32
    2,5,8-trioxanonane 23.17
    1-hexene 0.36
    2-isopropoxyethanol 14.77
    2,2,2-trifluoroethanol 65.52
    methyl butyrate 8.8

    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