(23E)-3beta-(alpha-L-Arabinopyranosyloxy)-20,25-dihydroxy-16-oxodammar-23-en-30-yl beta-D-glucopyranoside

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  • Identifiers

    CAS number
    154971-10-5

    Molecular formula
    C41H68O14

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC(=O)[C@@H]4[C@](C)(C/C=C/C(C)(C)O)O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 53.41%
    Sweet 41.89%
    Odorless 41.5%
    Amber 32.65%
    Balsamic 32.45%
    Mint 29.16%
    Spicy 29.13%
    Sandalwood 28.88%
    Cooling 27.83%
    Dry 27.82%

     

    Flavor
    Bitter 56.22%
    Sweet 27.25%
    Fatty 26.81%
    Odorless 26.8%
    Sweet-like 24.13%
    Herbal 22.11%
    Cedarleaf 21.72%
    Minty 21.6%
    Clary 21.11%
    Sandalwood 20.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.01 (weak acid)

    Molecular weight
    785.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1112°C

    Flash point

    • 268.06 ˚C est.

  • Synonyms

    • DTXSID701112097
    • (23E)-3beta-(alpha-L-Arabinopyranosyloxy)-20,25-dihydroxy-16-oxodammar-23-en-30-yl beta-D-glucopyranoside
    • 154971-10-5
    • 154971-10-5

  • Applications

    For the compound (23E)-3beta-(alpha-L-Arabinopyranosyloxy)-20,25-dihydroxy-16-oxodammar-23-en-30-yl beta-D-glucopyranoside (CAS 154971-10-5), typical applications include its use as an intermediate in the synthesis of complex natural-product-based pharmaceutical or agrochemical candidates; as a glycoside surfactant or emulsifier in cosmetics/personal care and in household/industrial cleaning formulations; as a specialty additive or modifier in polymer, plastics, coatings, and ink formulations; and as a research scaffold or bioactive lead in natural product chemistry for academic and industrial R&D.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.04
    methanol 24.4
    isopropanol 0.39
    water 0.15
    ethyl acetate 1.44
    n-propanol 1.06
    acetone 3.24
    n-butanol 0.42
    acetonitrile 1.17
    DMF 37.72
    toluene 0.54
    isobutanol 0.37
    1,4-dioxane 7.7
    methyl acetate 1.85
    THF 13.41
    2-butanone 1.95
    n-pentanol 0.42
    sec-butanol 0.28
    n-hexane 0.02
    ethylene glycol 4.51
    NMP 42.75
    cyclohexane 0.04
    DMSO 35.78
    n-butyl acetate 0.59
    n-octanol 0.45
    chloroform 2.94
    n-propyl acetate 0.75
    acetic acid 23.25
    dichloromethane 3.37
    cyclohexanone 2.86
    propylene glycol 3.05
    isopropyl acetate 0.8
    DMAc 26.91
    2-ethoxyethanol 6.73
    isopentanol 0.22
    n-heptane 0.03
    ethyl formate 1.73
    1,2-dichloroethane 1.4
    n-hexanol 0.34
    2-methoxyethanol 17.53
    isobutyl acetate 0.41
    tetrachloromethane 0.31
    n-pentyl acetate 1.1
    transcutol 12.22
    n-heptanol 0.57
    ethylbenzene 0.22
    MIBK 0.69
    2-propoxyethanol 7.24
    tert-butanol 0.26
    MTBE 0.29
    2-butoxyethanol 4.74
    propionic acid 2.66
    o-xylene 0.33
    formic acid 47.7
    diethyl ether 0.67
    m-xylene 0.36
    p-xylene 0.25
    chlorobenzene 0.6
    dimethyl carbonate 4.76
    n-octane 0.02
    formamide 28.13
    cyclopentanone 8.04
    2-pentanone 1.26
    anisole 1.1
    cyclopentyl methyl ether 2.19
    gamma-butyrolactone 13.25
    1-methoxy-2-propanol 6.88
    pyridine 4.76
    3-pentanone 1.31
    furfural 15.6
    n-dodecane 0.01
    diethylene glycol 11.11
    diisopropyl ether 0.12
    tert-amyl alcohol 0.24
    acetylacetone 4.68
    n-hexadecane 0.01
    acetophenone 1.75
    methyl propionate 2.82
    isopentyl acetate 0.46
    trichloroethylene 4.98
    n-nonanol 0.47
    cyclohexanol 0.37
    benzyl alcohol 1.42
    2-ethylhexanol 0.19
    isooctanol 0.36
    dipropyl ether 0.55
    1,2-dichlorobenzene 0.7
    ethyl lactate 1.64
    propylene carbonate 3.75
    n-methylformamide 16.99
    2-pentanol 0.17
    n-pentane 0.02
    1-propoxy-2-propanol 3.0
    1-methoxy-2-propyl acetate 2.95
    2-(2-methoxypropoxy) propanol 3.34
    mesitylene 0.19
    ε-caprolactone 3.36
    p-cymene 0.17
    epichlorohydrin 11.33
    1,1,1-trichloroethane 0.58
    2-aminoethanol 5.02
    morpholine-4-carbaldehyde 38.03
    sulfolane 31.16
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.04
    n-hexyl acetate 1.16
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.11
    sec-butyl acetate 0.39
    tert-butyl acetate 0.92
    decalin 0.02
    glycerin 12.53
    diglyme 10.34
    acrylic acid 7.06
    isopropyl myristate 0.26
    n-butyric acid 1.81
    acetyl acetate 1.9
    di(2-ethylhexyl) phthalate 0.71
    ethyl propionate 0.82
    nitromethane 31.16
    1,2-diethoxyethane 1.51
    benzonitrile 0.88
    trioctyl phosphate 0.42
    1-bromopropane 0.33
    gamma-valerolactone 28.18
    n-decanol 0.26
    triethyl phosphate 0.52
    4-methyl-2-pentanol 0.12
    propionitrile 0.65
    vinylene carbonate 5.18
    1,1,2-trichlorotrifluoroethane 21.94
    DMS 1.94
    cumene 0.14
    2-octanol 0.23
    2-hexanone 0.76
    octyl acetate 0.55
    limonene 0.21
    1,2-dimethoxyethane 6.62
    ethyl orthosilicate 0.46
    tributyl phosphate 0.33
    diacetone alcohol 2.25
    N,N-dimethylaniline 0.95
    acrylonitrile 1.98
    aniline 0.92
    1,3-propanediol 3.0
    bromobenzene 0.56
    dibromomethane 1.25
    1,1,2,2-tetrachloroethane 2.83
    2-methyl-cyclohexyl acetate 0.68
    tetrabutyl urea 0.72
    diisobutyl methanol 0.11
    2-phenylethanol 1.3
    styrene 0.26
    dioctyl adipate 0.73
    dimethyl sulfate 12.08
    ethyl butyrate 0.63
    methyl lactate 5.91
    butyl lactate 1.69
    diethyl carbonate 0.42
    propanediol butyl ether 4.98
    triethyl orthoformate 0.74
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 2.87
    morpholine 7.9
    tert-butylamine 0.08
    n-dodecanol 0.14
    dimethoxymethane 18.1
    ethylene carbonate 2.69
    cyrene 9.71
    2-ethoxyethyl acetate 3.48
    2-ethylhexyl acetate 0.38
    1,2,4-trichlorobenzene 1.04
    4-methylpyridine 2.07
    dibutyl ether 0.26
    2,6-dimethyl-4-heptanol 0.11
    DEF 3.31
    dimethyl isosorbide 8.01
    tetrachloroethylene 2.47
    eugenol 3.37
    triacetin 3.37
    span 80 3.24
    1,4-butanediol 1.36
    1,1-dichloroethane 0.58
    2-methyl-1-pentanol 0.24
    methyl formate 14.27
    2-methyl-1-butanol 0.26
    n-decane 0.03
    butyronitrile 0.38
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.15
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 0.87
    tetrahydropyran 1.61
    tert-amyl methyl ether 0.34
    2,5,8-trioxanonane 6.51
    1-hexene 0.08
    2-isopropoxyethanol 2.52
    2,2,2-trifluoroethanol 7.95
    methyl butyrate 1.01

    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