(25S)-5beta-spirostan-3beta-yl beta-D-glucoside

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  • Identifiers

    CAS number
    14835-43-9

    Molecular formula
    C33H54O8

    SMILES
    C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Woody 46.55%
    Spicy 32.89%
    Odorless 32.67%
    Mint 31.32%
    Amber 29.04%
    Sweet 28.94%
    Herbal 27.83%
    Balsamic 27.53%
    Cooling 25.61%
    Sandalwood 24.18%

     

    Flavor
    Fatty 37.24%
    Sweet 33.37%
    Bitter 33.06%
    Earthy 26.57%
    Metallic 24.36%
    Sweet-like 24.03%
    Fruit 23.63%
    Beet 22.42%
    Cauliflower 22.23%
    Soil 22.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    4.78 (weak acid)

    Molecular weight
    578.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    113°C

    Flash point

    • 234.17 ˚C est.

  • Synonyms

    • (25S)-5beta-spirostan-3beta-yl beta-D-glucoside
    • (25S)-5beta-spirostan-3beta-yl beta-D-glucopyranoside
    • CHEBI:15579
    • DTXSID70331494
    • (25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-((1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-16-yl)oxyoxane-3,4,5-triol
    • RefChem:1049742
    • DTXCID20282588
    • Asparagoside A
    • 14835-43-9
    • (25S)-5beta-spirostan-3beta-ol 3-O-beta-D- glucoside
    • orb2942955
    • SCHEMBL29741761
    • NS00094783
    • C08886
    • Q27098116
    • (25S)-5-beta-spirostan-3-beta-ol 3-0-beta-D-glucoside
    • (25S)-5beta-spirostan-3beta-ol-3-O-beta-D-glucopyranoside
    • 14835-43-9

  • Applications

    Identified as (25S)-5beta-spirostan-3beta-yl beta-D-glucoside (CAS 14835-43-9), a steroidal glycoside (sapogenin glycoside), it is commonly used as a starting material or intermediate in the synthesis of steroidal glycosides for pharmaceutical R&D; it may function as a natural surfactant and emulsifier in cosmetic and personal care formulations, as well as in household cleaning products; it is used as an analytical reference or standard for quality control and identification of steroidal glycosides in natural product materials; and occasionally serves as a precursor for glycosylated steroid compounds in pharmaceutical synthesis, with usage constrained by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.88
    methanol 11.47
    isopropanol 0.95
    water 0.16
    ethyl acetate 3.68
    n-propanol 2.55
    acetone 7.36
    n-butanol 1.86
    acetonitrile 2.16
    DMF 15.48
    toluene 2.26
    isobutanol 1.16
    1,4-dioxane 12.89
    methyl acetate 3.18
    THF 41.76
    2-butanone 4.38
    n-pentanol 1.88
    sec-butanol 0.58
    n-hexane 0.06
    ethylene glycol 2.04
    NMP 28.56
    cyclohexane 0.11
    DMSO 35.96
    n-butyl acetate 2.75
    n-octanol 2.23
    chloroform 9.5
    n-propyl acetate 2.59
    acetic acid 22.52
    dichloromethane 8.58
    cyclohexanone 12.04
    propylene glycol 1.59
    isopropyl acetate 3.23
    DMAc 22.4
    2-ethoxyethanol 13.03
    isopentanol 1.32
    n-heptane 0.11
    ethyl formate 4.48
    1,2-dichloroethane 4.22
    n-hexanol 1.92
    2-methoxyethanol 20.35
    isobutyl acetate 2.05
    tetrachloromethane 1.49
    n-pentyl acetate 6.18
    transcutol 27.69
    n-heptanol 3.31
    ethylbenzene 0.9
    MIBK 3.69
    2-propoxyethanol 17.12
    tert-butanol 0.76
    MTBE 0.98
    2-butoxyethanol 16.98
    propionic acid 4.26
    o-xylene 1.29
    formic acid 15.84
    diethyl ether 1.64
    m-xylene 1.78
    p-xylene 0.97
    chlorobenzene 3.27
    dimethyl carbonate 6.27
    n-octane 0.06
    formamide 15.93
    cyclopentanone 22.68
    2-pentanone 4.72
    anisole 3.8
    cyclopentyl methyl ether 7.21
    gamma-butyrolactone 25.12
    1-methoxy-2-propanol 10.54
    pyridine 11.84
    3-pentanone 3.21
    furfural 26.61
    n-dodecane 0.05
    diethylene glycol 12.74
    diisopropyl ether 0.56
    tert-amyl alcohol 0.61
    acetylacetone 11.88
    n-hexadecane 0.07
    acetophenone 5.89
    methyl propionate 4.58
    isopentyl acetate 3.19
    trichloroethylene 12.76
    n-nonanol 2.7
    cyclohexanol 1.54
    benzyl alcohol 5.14
    2-ethylhexanol 1.18
    isooctanol 2.44
    dipropyl ether 1.75
    1,2-dichlorobenzene 3.33
    ethyl lactate 3.49
    propylene carbonate 10.19
    n-methylformamide 11.62
    2-pentanol 0.68
    n-pentane 0.06
    1-propoxy-2-propanol 7.65
    1-methoxy-2-propyl acetate 8.72
    2-(2-methoxypropoxy) propanol 9.42
    mesitylene 0.96
    ε-caprolactone 11.97
    p-cymene 0.92
    epichlorohydrin 24.45
    1,1,1-trichloroethane 2.64
    2-aminoethanol 4.55
    morpholine-4-carbaldehyde 34.45
    sulfolane 40.79
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 6.67
    n-hexyl acetate 6.24
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 15.56
    sec-butyl acetate 1.77
    tert-butyl acetate 4.07
    decalin 0.11
    glycerin 6.66
    diglyme 28.1
    acrylic acid 7.82
    isopropyl myristate 1.7
    n-butyric acid 7.38
    acetyl acetate 6.26
    di(2-ethylhexyl) phthalate 3.52
    ethyl propionate 2.31
    nitromethane 26.51
    1,2-diethoxyethane 4.66
    benzonitrile 3.84
    trioctyl phosphate 2.4
    1-bromopropane 1.09
    gamma-valerolactone 52.58
    n-decanol 1.43
    triethyl phosphate 2.05
    4-methyl-2-pentanol 0.76
    propionitrile 1.59
    vinylene carbonate 13.01
    1,1,2-trichlorotrifluoroethane 26.76
    DMS 4.75
    cumene 0.69
    2-octanol 1.26
    2-hexanone 2.97
    octyl acetate 2.88
    limonene 1.01
    1,2-dimethoxyethane 13.6
    ethyl orthosilicate 1.99
    tributyl phosphate 1.83
    diacetone alcohol 6.94
    N,N-dimethylaniline 2.69
    acrylonitrile 3.53
    aniline 3.83
    1,3-propanediol 6.8
    bromobenzene 3.0
    dibromomethane 4.05
    1,1,2,2-tetrachloroethane 7.57
    2-methyl-cyclohexyl acetate 3.58
    tetrabutyl urea 2.96
    diisobutyl methanol 0.68
    2-phenylethanol 5.86
    styrene 1.08
    dioctyl adipate 3.79
    dimethyl sulfate 12.88
    ethyl butyrate 2.55
    methyl lactate 7.33
    butyl lactate 6.66
    diethyl carbonate 1.74
    propanediol butyl ether 10.91
    triethyl orthoformate 2.91
    p-tert-butyltoluene 0.88
    methyl 4-tert-butylbenzoate 9.99
    morpholine 14.6
    tert-butylamine 0.28
    n-dodecanol 0.77
    dimethoxymethane 17.76
    ethylene carbonate 9.1
    cyrene 15.78
    2-ethoxyethyl acetate 12.02
    2-ethylhexyl acetate 2.39
    1,2,4-trichlorobenzene 4.8
    4-methylpyridine 7.03
    dibutyl ether 1.18
    2,6-dimethyl-4-heptanol 0.68
    DEF 6.33
    dimethyl isosorbide 17.75
    tetrachloroethylene 7.12
    eugenol 10.23
    triacetin 9.92
    span 80 9.38
    1,4-butanediol 2.75
    1,1-dichloroethane 2.09
    2-methyl-1-pentanol 1.32
    methyl formate 9.9
    2-methyl-1-butanol 1.15
    n-decane 0.13
    butyronitrile 1.56
    3,7-dimethyl-1-octanol 1.56
    1-chlorooctane 0.75
    1-chlorotetradecane 0.22
    n-nonane 0.09
    undecane 0.08
    tert-butylcyclohexane 0.08
    cyclooctane 0.08
    cyclopentanol 2.55
    tetrahydropyran 5.22
    tert-amyl methyl ether 0.97
    2,5,8-trioxanonane 17.06
    1-hexene 0.24
    2-isopropoxyethanol 6.54
    2,2,2-trifluoroethanol 10.23
    methyl butyrate 3.11

    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