(1'S,2'R,4'aR,4'bR,7'S,8'aR,10'aR)-2'-((1R,2S)-2-(Acetyloxy)-1-methyl-3-((2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl)propyl)-7'-(beta-D-glucopyranosyloxy)dodecahydro-4'b,8',8',10'a-tetramethylspiro(furan-3(2H),1'(2'H)-phenanthren)-5(4H)-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    174902-17-1

    Molecular formula
    C38H60O12

    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@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 47.7%
    Woody 44.4%
    Spicy 28.55%
    Amber 28.49%
    Dry 25.16%
    Balsamic 24.91%
    Cooling 24.51%
    Lactonic 24.3%
    Mint 23.9%
    Sweet 23.63%

     

    Flavor
    Bitter 64.51%
    Fatty 25.64%
    Sweet-like 23.9%
    Cedarleaf 23.29%
    Bland 23.04%
    Odorless 22.81%
    Metallic 21.29%
    Ripe apricot 21.25%
    Pleasant 20.87%
    Old wood 20.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    3.91 (weak acid)

    Molecular weight
    708.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    260°C

    Flash point

    • 247.58 ˚C est.

  • Synonyms

    • Hovenidulcioside B2
    • 174902-17-1
    • DTXSID70169911
    • RefChem:905586
    • DTXCID5092402
    • (1'S,2'R,4'aR,4'bR,7'S,8'aR,10'aR)-2'-((1R,2S)-2-(Acetyloxy)-1-methyl-3-((2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl)propyl)-7'-(beta-D-glucopyranosyloxy)dodecahydro-4'b,8',8',10'a-tetramethylspiro(furan-3(2H),1'(2'H)-phenanthren)-5(4H)-one
    • [(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-4b,8,8,10a-tetramethyl-2'-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butan-2-yl] acetate
    • CHEBI:180736
    • 21-Nor-16,17-secodammarane-16,26-dioic acid, 20-(acetyloxy)-3-(beta-D- glucopyranosyloxy)-23,30-dihydroxy-17-methyl-, di-gamma-lactone, (3beta,17R,20S,23S,25R)-
    • (2S,3R)-3-[(1'S,2'R,4'aR,4'bR,7'S,8'aR,10'aR)-7'-(beta-D-Glucopyranosyloxy)-4'b,8',8',10'a-tetramethyl-5-oxododecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-2'-yl]-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butan-2-yl acetate
    • Spiro(furan-3(2H),1'(2'H)-phenanthren)-5(4H)-one, 2'-((1R,2S)-2-(acetyloxy)-1-methyl-3-((2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl)propyl)-7'-(beta-D-glucopyranosyloxy)dodecahydro-4'b,8',8',10'a-tetramethyl-, (1'S,2'R,4'aR,4'bR,7'S,8'aR,10'aR)-
    • 174902-17-1

  • Applications

    CAS 174902-17-1 and the chemical name (1'S,2'R,4'aR,4'bR,7'S,8'aR,10'aR)-2'-((1R,2S)-2-(Acetyloxy)-1-methyl-3-((2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl)propyl)-7'-(beta-D-glucopyranosyloxy)dodecahydro-4'b,8',8',10'a-tetramethylspiro(furan-3(2H),1'(2'H)-phenanthren)-5(4H)-one is a complex, polycyclic glycosylated ketone that is primarily of interest as a synthetic intermediate and scaffold for chemical development. In practice, it can be explored as a chiral building block in pharmaceutical discovery and medicinal chemistry programs, often evaluated for lead-optimization work. The glycoside moiety suggests potential as a fragrance precursor or odorant-release component in perfumery, and the molecule may be considered in cosmetic formulation research as a bioactive carrier or stabilizing fragment, subject to formulation constraints. Additionally, its structural features make it a candidate for industrial manufacturing contexts where specialized organic synthesis steps are required to access more complex natural-product-like compounds, again under appropriate regulatory and safety controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.84
    methanol 101.3
    isopropanol 6.48
    water 0.19
    ethyl acetate 20.69
    n-propanol 13.02
    acetone 38.24
    n-butanol 5.97
    acetonitrile 13.21
    DMF 223.53
    toluene 3.51
    isobutanol 4.41
    1,4-dioxane 46.16
    methyl acetate 22.01
    THF 120.31
    2-butanone 20.42
    n-pentanol 3.69
    sec-butanol 3.36
    n-hexane 0.07
    ethylene glycol 17.71
    NMP 233.49
    cyclohexane 0.12
    DMSO 190.81
    n-butyl acetate 5.44
    n-octanol 2.15
    chloroform 52.27
    n-propyl acetate 6.73
    acetic acid 233.79
    dichloromethane 46.89
    cyclohexanone 30.1
    propylene glycol 18.76
    isopropyl acetate 9.55
    DMAc 166.4
    2-ethoxyethanol 49.15
    isopentanol 2.82
    n-heptane 0.08
    ethyl formate 21.76
    1,2-dichloroethane 19.22
    n-hexanol 2.65
    2-methoxyethanol 139.05
    isobutyl acetate 3.32
    tetrachloromethane 3.87
    n-pentyl acetate 7.37
    transcutol 46.5
    n-heptanol 2.81
    ethylbenzene 1.12
    MIBK 6.27
    2-propoxyethanol 48.04
    tert-butanol 3.62
    MTBE 2.73
    2-butoxyethanol 25.5
    propionic acid 29.06
    o-xylene 1.72
    formic acid 154.48
    diethyl ether 5.42
    m-xylene 1.84
    p-xylene 1.25
    chlorobenzene 7.45
    dimethyl carbonate 37.86
    n-octane 0.04
    formamide 142.09
    cyclopentanone 85.21
    2-pentanone 15.17
    anisole 7.02
    cyclopentyl methyl ether 14.88
    gamma-butyrolactone 145.7
    1-methoxy-2-propanol 68.21
    pyridine 42.56
    3-pentanone 11.18
    furfural 111.94
    n-dodecane 0.03
    diethylene glycol 52.39
    diisopropyl ether 0.8
    tert-amyl alcohol 2.56
    acetylacetone 42.83
    n-hexadecane 0.04
    acetophenone 11.9
    methyl propionate 28.96
    isopentyl acetate 4.2
    trichloroethylene 72.09
    n-nonanol 2.35
    cyclohexanol 3.33
    benzyl alcohol 10.45
    2-ethylhexanol 1.06
    isooctanol 1.8
    dipropyl ether 2.41
    1,2-dichlorobenzene 7.38
    ethyl lactate 10.28
    propylene carbonate 45.86
    n-methylformamide 142.7
    2-pentanol 2.05
    n-pentane 0.09
    1-propoxy-2-propanol 17.41
    1-methoxy-2-propyl acetate 20.12
    2-(2-methoxypropoxy) propanol 14.62
    mesitylene 0.76
    ε-caprolactone 37.55
    p-cymene 0.68
    epichlorohydrin 128.54
    1,1,1-trichloroethane 11.85
    2-aminoethanol 35.62
    morpholine-4-carbaldehyde 198.35
    sulfolane 186.45
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 21.34
    n-hexyl acetate 7.54
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 21.81
    sec-butyl acetate 3.47
    tert-butyl acetate 7.89
    decalin 0.08
    glycerin 58.45
    diglyme 48.43
    acrylic acid 58.61
    isopropyl myristate 1.45
    n-butyric acid 33.93
    acetyl acetate 25.52
    di(2-ethylhexyl) phthalate 3.76
    ethyl propionate 7.22
    nitromethane 278.84
    1,2-diethoxyethane 7.25
    benzonitrile 7.71
    trioctyl phosphate 2.3
    1-bromopropane 3.91
    gamma-valerolactone 239.07
    n-decanol 1.21
    triethyl phosphate 3.36
    4-methyl-2-pentanol 1.2
    propionitrile 7.59
    vinylene carbonate 55.9
    1,1,2-trichlorotrifluoroethane 156.81
    DMS 12.54
    cumene 0.61
    2-octanol 1.14
    2-hexanone 5.51
    octyl acetate 3.08
    limonene 0.9
    1,2-dimethoxyethane 41.25
    ethyl orthosilicate 2.61
    tributyl phosphate 2.12
    diacetone alcohol 17.9
    N,N-dimethylaniline 4.39
    acrylonitrile 20.48
    aniline 9.27
    1,3-propanediol 38.79
    bromobenzene 6.1
    dibromomethane 17.41
    1,1,2,2-tetrachloroethane 40.46
    2-methyl-cyclohexyl acetate 4.3
    tetrabutyl urea 3.48
    diisobutyl methanol 0.57
    2-phenylethanol 8.21
    styrene 1.48
    dioctyl adipate 4.2
    dimethyl sulfate 81.18
    ethyl butyrate 4.61
    methyl lactate 42.28
    butyl lactate 9.97
    diethyl carbonate 3.47
    propanediol butyl ether 21.16
    triethyl orthoformate 4.13
    p-tert-butyltoluene 0.65
    methyl 4-tert-butylbenzoate 13.45
    morpholine 63.86
    tert-butylamine 0.84
    n-dodecanol 0.63
    dimethoxymethane 108.2
    ethylene carbonate 34.44
    cyrene 34.55
    2-ethoxyethyl acetate 21.77
    2-ethylhexyl acetate 2.95
    1,2,4-trichlorobenzene 11.96
    4-methylpyridine 23.2
    dibutyl ether 1.15
    2,6-dimethyl-4-heptanol 0.57
    DEF 28.12
    dimethyl isosorbide 30.33
    tetrachloroethylene 27.32
    eugenol 14.41
    triacetin 19.44
    span 80 14.08
    1,4-butanediol 10.08
    1,1-dichloroethane 12.45
    2-methyl-1-pentanol 1.93
    methyl formate 105.2
    2-methyl-1-butanol 2.89
    n-decane 0.08
    butyronitrile 5.09
    3,7-dimethyl-1-octanol 1.32
    1-chlorooctane 0.64
    1-chlorotetradecane 0.16
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.06
    cyclooctane 0.06
    cyclopentanol 9.27
    tetrahydropyran 13.81
    tert-amyl methyl ether 2.44
    2,5,8-trioxanonane 26.07
    1-hexene 0.38
    2-isopropoxyethanol 17.01
    2,2,2-trifluoroethanol 80.96
    methyl butyrate 9.59

    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