Spiro[furan-3(2H),1a(2)(2a(2)H)-phenanthren]-5(4H)-one, 2a(2)-[(1R,2S)-2-(acetyloxy)-1-methyl-3-[(2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]propyl]dodecahydro-7a(2)-hydroxy-4a(2)B,8a(2),8a(2),10a(2)a-tetramethyl-, (1a(2)S,2a(2)R,4a(2)aR,4a(2)bR,7a(2)S,8a(2)aR,10a(2)aR)-

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  • Identifiers

    CAS number
    182173-50-8

    Molecular formula
    C32H50O7

    SMILES
    C[C@@H]1C[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)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 66.79%
    Amber 39.64%
    Cedar 35.65%
    Dry 33.73%
    Balsamic 33.26%
    Spicy 29.05%
    Sandalwood 28.26%
    Odorless 28.25%
    Musk 26.79%
    Powdery 26.14%

     

    Flavor
    Bitter 60.04%
    Herbal 27.9%
    Minty 27.76%
    Woody 26.62%
    Pine 25.8%
    Fruit 25.29%
    Camphor 24.32%
    Fruity 23.59%
    Cedarleaf 23.52%
    Ripe apricot 22.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    4.88 (weak acid)

    Molecular weight
    546.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    107°C

    Flash point

    • 236.63 ˚C est.

  • Synonyms

    • DTXSID401098119
    • 182173-50-8
    • Spiro[furan-3(2H),1a(2)(2a(2)H)-phenanthren]-5(4H)-one, 2a(2)-[(1R,2S)-2-(acetyloxy)-1-methyl-3-[(2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]propyl]dodecahydro-7a(2)-hydroxy-4a(2)B,8a(2),8a(2),10a(2)a-tetramethyl-, (1a(2)S,2a(2)R,4a(2)aR,4a(2)bR,7a(2)S,8a(2)aR,10a(2)aR)-
    • 182173-50-8

  • Applications

    Chemical name: Spiro[furan-3(2H),1a(2)(2a(2)H)-phenanthren]-5(4H)-one, 2a(2)-[(1R,2S)-2-(acetyloxy)-1-methyl-3-[(2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]propyl]dodecahydro-7a(2)-hydroxy-4a(2)B,8a(2),8a(2),10a(2)a-tetramethyl-, (1a(2)S,2a(2)R,4a(2)aR,4a(2)bR,7a(2)S,8a(2)aR,10a(2)aR)- CAS number: 182173-50-8. With its rigid polycyclic, spiro-fused framework and multiple stereocenters, this compound is typically used as a high-value building block in medicinal chemistry and complex natural-product synthesis. In practice, it serves as a chiral scaffold and intermediate for preparing polycyclic architectures, enabling diversification into libraries of drug-like molecules. It is also employed as a research chemical or reference material in academic and industry laboratories for method development, asymmetric synthesis, and structure-activity investigations. In some cases, the compound or its derivatives are explored as late-stage intermediates for further functionalization (for example acetylation or hydroxy group installation) and may be evaluated for potential applications in materials science as a rigid, saturated core. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.16
    methanol 46.71
    isopropanol 23.77
    water 0.1
    ethyl acetate 39.04
    n-propanol 45.66
    acetone 66.26
    n-butanol 24.14
    acetonitrile 31.06
    DMF 267.74
    toluene 13.77
    isobutanol 19.08
    1,4-dioxane 74.79
    methyl acetate 38.82
    THF 198.33
    2-butanone 53.78
    n-pentanol 15.17
    sec-butanol 13.15
    n-hexane 0.24
    ethylene glycol 11.31
    NMP 221.85
    cyclohexane 0.35
    DMSO 123.07
    n-butyl acetate 15.51
    n-octanol 4.53
    chloroform 146.21
    n-propyl acetate 17.56
    acetic acid 121.62
    dichloromethane 99.14
    cyclohexanone 70.44
    propylene glycol 17.26
    isopropyl acetate 22.58
    DMAc 200.55
    2-ethoxyethanol 67.22
    isopentanol 12.04
    n-heptane 0.17
    ethyl formate 29.72
    1,2-dichloroethane 41.17
    n-hexanol 10.55
    2-methoxyethanol 129.9
    isobutyl acetate 11.39
    tetrachloromethane 11.83
    n-pentyl acetate 15.7
    transcutol 65.73
    n-heptanol 7.38
    ethylbenzene 4.23
    MIBK 17.94
    2-propoxyethanol 86.16
    tert-butanol 11.36
    MTBE 8.3
    2-butoxyethanol 40.1
    propionic acid 46.59
    o-xylene 5.87
    formic acid 53.01
    diethyl ether 17.27
    m-xylene 6.88
    p-xylene 4.82
    chlorobenzene 26.13
    dimethyl carbonate 48.03
    n-octane 0.08
    formamide 76.71
    cyclopentanone 142.07
    2-pentanone 40.9
    anisole 19.18
    cyclopentyl methyl ether 34.87
    gamma-butyrolactone 180.94
    1-methoxy-2-propanol 103.78
    pyridine 90.14
    3-pentanone 28.81
    furfural 129.94
    n-dodecane 0.07
    diethylene glycol 60.24
    diisopropyl ether 2.52
    tert-amyl alcohol 7.61
    acetylacetone 59.58
    n-hexadecane 0.08
    acetophenone 25.93
    methyl propionate 52.9
    isopentyl acetate 13.7
    trichloroethylene 143.24
    n-nonanol 5.1
    cyclohexanol 10.57
    benzyl alcohol 25.77
    2-ethylhexanol 3.82
    isooctanol 5.05
    dipropyl ether 6.33
    1,2-dichlorobenzene 23.01
    ethyl lactate 17.4
    propylene carbonate 64.27
    n-methylformamide 126.95
    2-pentanol 8.39
    n-pentane 0.3
    1-propoxy-2-propanol 38.77
    1-methoxy-2-propyl acetate 39.04
    2-(2-methoxypropoxy) propanol 24.33
    mesitylene 2.63
    ε-caprolactone 74.83
    p-cymene 2.06
    epichlorohydrin 181.99
    1,1,1-trichloroethane 33.86
    2-aminoethanol 36.0
    morpholine-4-carbaldehyde 204.07
    sulfolane 165.53
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 49.84
    n-hexyl acetate 15.81
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 32.74
    sec-butyl acetate 10.4
    tert-butyl acetate 18.23
    decalin 0.25
    glycerin 37.7
    diglyme 70.98
    acrylic acid 55.99
    isopropyl myristate 3.73
    n-butyric acid 60.29
    acetyl acetate 37.16
    di(2-ethylhexyl) phthalate 8.78
    ethyl propionate 17.37
    nitromethane 191.32
    1,2-diethoxyethane 13.46
    benzonitrile 23.73
    trioctyl phosphate 5.18
    1-bromopropane 14.35
    gamma-valerolactone 275.83
    n-decanol 2.67
    triethyl phosphate 7.35
    4-methyl-2-pentanol 4.39
    propionitrile 25.64
    vinylene carbonate 80.11
    1,1,2-trichlorotrifluoroethane 142.4
    DMS 21.43
    cumene 2.34
    2-octanol 2.95
    2-hexanone 18.47
    octyl acetate 6.62
    limonene 2.41
    1,2-dimethoxyethane 67.08
    ethyl orthosilicate 6.24
    tributyl phosphate 5.1
    diacetone alcohol 30.68
    N,N-dimethylaniline 11.53
    acrylonitrile 46.56
    aniline 29.47
    1,3-propanediol 51.37
    bromobenzene 22.9
    dibromomethane 47.72
    1,1,2,2-tetrachloroethane 87.88
    2-methyl-cyclohexyl acetate 11.4
    tetrabutyl urea 8.01
    diisobutyl methanol 1.72
    2-phenylethanol 23.32
    styrene 5.92
    dioctyl adipate 9.45
    dimethyl sulfate 84.17
    ethyl butyrate 11.47
    methyl lactate 47.26
    butyl lactate 18.73
    diethyl carbonate 8.21
    propanediol butyl ether 27.91
    triethyl orthoformate 9.32
    p-tert-butyltoluene 1.92
    methyl 4-tert-butylbenzoate 23.44
    morpholine 119.71
    tert-butylamine 3.56
    n-dodecanol 1.42
    dimethoxymethane 146.79
    ethylene carbonate 54.4
    cyrene 44.21
    2-ethoxyethyl acetate 34.56
    2-ethylhexyl acetate 9.8
    1,2,4-trichlorobenzene 34.44
    4-methylpyridine 64.96
    dibutyl ether 2.79
    2,6-dimethyl-4-heptanol 1.72
    DEF 55.03
    dimethyl isosorbide 46.85
    tetrachloroethylene 55.39
    eugenol 26.11
    triacetin 27.5
    span 80 21.81
    1,4-butanediol 17.93
    1,1-dichloroethane 39.32
    2-methyl-1-pentanol 8.06
    methyl formate 74.88
    2-methyl-1-butanol 12.33
    n-decane 0.17
    butyronitrile 19.85
    3,7-dimethyl-1-octanol 3.57
    1-chlorooctane 1.5
    1-chlorotetradecane 0.37
    n-nonane 0.13
    undecane 0.1
    tert-butylcyclohexane 0.21
    cyclooctane 0.15
    cyclopentanol 24.83
    tetrahydropyran 39.93
    tert-amyl methyl ether 7.0
    2,5,8-trioxanonane 38.77
    1-hexene 1.71
    2-isopropoxyethanol 30.55
    2,2,2-trifluoroethanol 52.24
    methyl butyrate 22.13

    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