3beta-(beta-D-Glucopyranosyloxy)-6alpha,12beta-dihydroxydammar-24-en-20-yl beta-D-glucopyranoside

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  • Identifiers

    CAS number
    177745-52-7

    Molecular formula
    C42H72O14

    SMILES
    CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 47.94%
    Odorless 44.35%
    Sweet 39.43%
    Spicy 34.71%
    Mint 33.91%
    Cooling 31.22%
    Balsamic 30.89%
    Amber 28.37%
    Dry 25.41%
    Sandalwood 24.97%

     

    Flavor
    Bitter 46.3%
    Sweet 32.79%
    Odorless 27.13%
    Herbal 26.7%
    Fatty 26.07%
    Sweet-like 24.52%
    Minty 23.4%
    Pine 22.72%
    Cedarleaf 22.1%
    Mentholic 21.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    4.21 (weak acid)

    Molecular weight
    801.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1784°C

    Flash point

    • 257.19 ˚C est.

  • Synonyms

    • Ginsenoside Ia
    • CHEMBL3357160
    • DTXSID501145662
    • (3I(2),6I+/-,12I(2))-6,12-Dihydroxydammar-24-ene-3,20-diyl bis[I(2)-D-glucopyranoside]
    • 177745-52-7
    • 3beta-(beta-D-Glucopyranosyloxy)-6alpha,12beta-dihydroxydammar-24-en-20-yl beta-D-glucopyranoside
    • 177745-52-7

  • Applications

    3beta-(beta-D-Glucopyranosyloxy)-6alpha,12beta-dihydroxydammar-24-en-20-yl beta-D-glucopyranoside (CAS 177745-52-7) is a dammarane-type glycoside bearing two sugar moieties, frequently considered a precursor and functional fragment in dammarane saponin chemistry. In cosmetics and personal care, it may act as an emulsifier and stabilizer for emulsions due to its glycosidic groups, supporting formulations such as creams, cleansers, and shampoos. In pharmaceutical research, it is evaluated as a glycoside scaffold or intermediate for the synthesis of dammarane-derived saponins, aiding structure-activity exploration and formulation optimization. In household and industrial applications, it can serve as an emulsifying or stabilizing additive for cleaners, coatings, and inks. Potential applications focus on cosmetics, pharmaceutical research, household products, and coatings/inks, with roles as an emulsifier, stabilizer, and synthetic precursor for dammarane saponins.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.73
    methanol 26.11
    isopropanol 1.17
    water 0.14
    ethyl acetate 2.33
    n-propanol 2.37
    acetone 7.45
    n-butanol 1.0
    acetonitrile 1.74
    DMF 34.54
    toluene 0.89
    isobutanol 0.92
    1,4-dioxane 12.52
    methyl acetate 2.73
    THF 26.44
    2-butanone 3.7
    n-pentanol 1.04
    sec-butanol 0.67
    n-hexane 0.05
    ethylene glycol 5.03
    NMP 40.37
    cyclohexane 0.09
    DMSO 60.29
    n-butyl acetate 1.31
    n-octanol 1.11
    chloroform 4.17
    n-propyl acetate 1.33
    acetic acid 27.02
    dichloromethane 3.93
    cyclohexanone 6.18
    propylene glycol 3.77
    isopropyl acetate 1.46
    DMAc 28.99
    2-ethoxyethanol 10.43
    isopentanol 0.6
    n-heptane 0.07
    ethyl formate 3.06
    1,2-dichloroethane 2.21
    n-hexanol 0.96
    2-methoxyethanol 21.09
    isobutyl acetate 0.79
    tetrachloromethane 0.65
    n-pentyl acetate 2.44
    transcutol 14.36
    n-heptanol 1.47
    ethylbenzene 0.38
    MIBK 1.47
    2-propoxyethanol 11.23
    tert-butanol 0.87
    MTBE 0.76
    2-butoxyethanol 8.24
    propionic acid 3.79
    o-xylene 0.54
    formic acid 27.52
    diethyl ether 1.38
    m-xylene 0.6
    p-xylene 0.47
    chlorobenzene 1.01
    dimethyl carbonate 5.03
    n-octane 0.04
    formamide 21.27
    cyclopentanone 14.14
    2-pentanone 2.56
    anisole 1.59
    cyclopentyl methyl ether 3.56
    gamma-butyrolactone 16.89
    1-methoxy-2-propanol 9.59
    pyridine 6.96
    3-pentanone 2.15
    furfural 17.15
    n-dodecane 0.03
    diethylene glycol 12.81
    diisopropyl ether 0.27
    tert-amyl alcohol 0.65
    acetylacetone 7.18
    n-hexadecane 0.03
    acetophenone 2.53
    methyl propionate 3.47
    isopentyl acetate 1.16
    trichloroethylene 5.88
    n-nonanol 1.13
    cyclohexanol 0.84
    benzyl alcohol 2.43
    2-ethylhexanol 0.49
    isooctanol 0.92
    dipropyl ether 1.0
    1,2-dichlorobenzene 0.95
    ethyl lactate 2.09
    propylene carbonate 5.09
    n-methylformamide 16.79
    2-pentanol 0.4
    n-pentane 0.05
    1-propoxy-2-propanol 4.69
    1-methoxy-2-propyl acetate 4.45
    2-(2-methoxypropoxy) propanol 4.93
    mesitylene 0.31
    ε-caprolactone 5.91
    p-cymene 0.34
    epichlorohydrin 14.67
    1,1,1-trichloroethane 1.09
    2-aminoethanol 7.05
    morpholine-4-carbaldehyde 37.05
    sulfolane 37.66
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 4.21
    n-hexyl acetate 2.36
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 7.61
    sec-butyl acetate 0.71
    tert-butyl acetate 1.58
    decalin 0.05
    glycerin 10.78
    diglyme 14.36
    acrylic acid 7.43
    isopropyl myristate 0.57
    n-butyric acid 3.37
    acetyl acetate 3.05
    di(2-ethylhexyl) phthalate 1.34
    ethyl propionate 1.19
    nitromethane 28.55
    1,2-diethoxyethane 2.98
    benzonitrile 1.52
    trioctyl phosphate 0.88
    1-bromopropane 0.64
    gamma-valerolactone 35.78
    n-decanol 0.61
    triethyl phosphate 0.84
    4-methyl-2-pentanol 0.32
    propionitrile 1.1
    vinylene carbonate 6.24
    1,1,2-trichlorotrifluoroethane 21.86
    DMS 2.68
    cumene 0.27
    2-octanol 0.67
    2-hexanone 1.58
    octyl acetate 1.06
    limonene 0.45
    1,2-dimethoxyethane 10.57
    ethyl orthosilicate 0.79
    tributyl phosphate 0.68
    diacetone alcohol 3.7
    N,N-dimethylaniline 1.38
    acrylonitrile 2.61
    aniline 1.49
    1,3-propanediol 5.8
    bromobenzene 0.88
    dibromomethane 1.92
    1,1,2,2-tetrachloroethane 3.93
    2-methyl-cyclohexyl acetate 1.28
    tetrabutyl urea 1.38
    diisobutyl methanol 0.27
    2-phenylethanol 2.47
    styrene 0.43
    dioctyl adipate 1.33
    dimethyl sulfate 11.7
    ethyl butyrate 1.11
    methyl lactate 6.23
    butyl lactate 3.1
    diethyl carbonate 0.7
    propanediol butyl ether 7.78
    triethyl orthoformate 1.19
    p-tert-butyltoluene 0.33
    methyl 4-tert-butylbenzoate 4.23
    morpholine 12.41
    tert-butylamine 0.26
    n-dodecanol 0.33
    dimethoxymethane 19.15
    ethylene carbonate 4.03
    cyrene 10.73
    2-ethoxyethyl acetate 5.91
    2-ethylhexyl acetate 0.91
    1,2,4-trichlorobenzene 1.48
    4-methylpyridine 3.29
    dibutyl ether 0.54
    2,6-dimethyl-4-heptanol 0.27
    DEF 4.77
    dimethyl isosorbide 9.64
    tetrachloroethylene 3.47
    eugenol 4.62
    triacetin 4.67
    span 80 4.82
    1,4-butanediol 2.68
    1,1-dichloroethane 1.08
    2-methyl-1-pentanol 0.62
    methyl formate 13.9
    2-methyl-1-butanol 0.63
    n-decane 0.07
    butyronitrile 0.76
    3,7-dimethyl-1-octanol 0.59
    1-chlorooctane 0.33
    1-chlorotetradecane 0.09
    n-nonane 0.06
    undecane 0.04
    tert-butylcyclohexane 0.03
    cyclooctane 0.05
    cyclopentanol 1.84
    tetrahydropyran 3.35
    tert-amyl methyl ether 0.69
    2,5,8-trioxanonane 9.06
    1-hexene 0.17
    2-isopropoxyethanol 4.53
    2,2,2-trifluoroethanol 9.35
    methyl butyrate 1.59

    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