I(2)-D-Glucopyranosiduronic acid, (3I(2))-17-carboxy-28-norolean-12-en-3-yl O-I+/--L-arabinofuranosyl-(1a4)-O-[I(2)-D-glucopyranosyl-(1a2)]-

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  • Identifiers

    CAS number
    107656-74-6

    Molecular formula
    C47H74O18

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 54.52%
    Woody 37.79%
    Spicy 31.85%
    Balsamic 26.99%
    Cooling 26.9%
    Amber 26.39%
    Dry 25.36%
    Sweet 25.28%
    Mint 21.99%
    Warm 21.28%

     

    Flavor
    Bitter 56.58%
    Odorless 31.93%
    Fatty 27.29%
    Sweet 27.06%
    Sweet-like 26.62%
    Bland 24.94%
    Cedarleaf 21.92%
    Patchouli 21.03%
    Sandalwood 20.61%
    Soil 20.59%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    1.81 (strong acid)

    Molecular weight
    927.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1505°C

    Flash point

    • 253.84 ˚C est.

  • Synonyms

    • DTXSID001103067
    • 107656-74-6
    • I(2)-D-Glucopyranosiduronic acid, (3I(2))-17-carboxy-28-norolean-12-en-3-yl O-I+/--L-arabinofuranosyl-(1a4)-O-[I(2)-D-glucopyranosyl-(1a2)]-
    • 107656-74-6

  • Applications

    Chemical name: I(2)-D-Glucopyranosiduronic acid, (3I(2))-17-carboxy-28-norolean-12-en-3-yl O-I+/--L-arabinofuranosyl-(1a4)-O-[I(2)-D-glucopyranosyl-(1a2)]- CAS number: 107656-74-6 is a complex triterpenoid glycoside primarily studied as an intermediate and research reagent in natural product synthesis and structure–activity investigations; in industry it may be evaluated for pharmaceutical lead scaffolds, cosmetic formulation components such as emulsifiers, cleaning products as a specialty surfactant, and agricultural or bioprospecting research for bioactive plant-derived compounds, with potential use as a functional additive in polymers or materials under appropriate regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.64
    methanol 17.2
    isopropanol 0.52
    water 0.08
    ethyl acetate 1.49
    n-propanol 0.89
    acetone 4.44
    n-butanol 0.33
    acetonitrile 1.45
    DMF 55.61
    toluene 0.42
    isobutanol 0.34
    1,4-dioxane 7.63
    methyl acetate 2.23
    THF 14.46
    2-butanone 2.13
    n-pentanol 0.35
    sec-butanol 0.3
    n-hexane 0.02
    ethylene glycol 3.92
    NMP 39.32
    cyclohexane 0.03
    DMSO 42.69
    n-butyl acetate 0.66
    n-octanol 0.49
    chloroform 2.8
    n-propyl acetate 0.84
    acetic acid 22.85
    dichloromethane 2.64
    cyclohexanone 2.45
    propylene glycol 3.22
    isopropyl acetate 0.93
    DMAc 38.48
    2-ethoxyethanol 6.6
    isopentanol 0.21
    n-heptane 0.02
    ethyl formate 1.75
    1,2-dichloroethane 1.26
    n-hexanol 0.27
    2-methoxyethanol 16.43
    isobutyl acetate 0.44
    tetrachloromethane 0.32
    n-pentyl acetate 1.35
    transcutol 12.93
    n-heptanol 0.53
    ethylbenzene 0.17
    MIBK 0.76
    2-propoxyethanol 6.7
    tert-butanol 0.4
    MTBE 0.39
    2-butoxyethanol 4.58
    propionic acid 2.29
    o-xylene 0.31
    formic acid 30.53
    diethyl ether 0.62
    m-xylene 0.31
    p-xylene 0.24
    chlorobenzene 0.5
    dimethyl carbonate 6.15
    n-octane 0.02
    formamide 23.45
    cyclopentanone 7.79
    2-pentanone 1.3
    anisole 1.09
    cyclopentyl methyl ether 1.69
    gamma-butyrolactone 12.89
    1-methoxy-2-propanol 8.16
    pyridine 4.19
    3-pentanone 1.27
    furfural 14.84
    n-dodecane 0.01
    diethylene glycol 10.56
    diisopropyl ether 0.13
    tert-amyl alcohol 0.31
    acetylacetone 6.41
    n-hexadecane 0.02
    acetophenone 1.88
    methyl propionate 2.87
    isopentyl acetate 0.52
    trichloroethylene 4.98
    n-nonanol 0.5
    cyclohexanol 0.29
    benzyl alcohol 1.25
    2-ethylhexanol 0.15
    isooctanol 0.35
    dipropyl ether 0.53
    1,2-dichlorobenzene 0.61
    ethyl lactate 1.8
    propylene carbonate 3.74
    n-methylformamide 18.57
    2-pentanol 0.17
    n-pentane 0.02
    1-propoxy-2-propanol 3.31
    1-methoxy-2-propyl acetate 3.4
    2-(2-methoxypropoxy) propanol 3.85
    mesitylene 0.17
    ε-caprolactone 2.67
    p-cymene 0.14
    epichlorohydrin 10.49
    1,1,1-trichloroethane 0.73
    2-aminoethanol 3.95
    morpholine-4-carbaldehyde 38.6
    sulfolane 29.9
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.74
    n-hexyl acetate 1.31
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.54
    sec-butyl acetate 0.42
    tert-butyl acetate 1.14
    decalin 0.02
    glycerin 11.99
    diglyme 11.92
    acrylic acid 6.33
    isopropyl myristate 0.31
    n-butyric acid 1.58
    acetyl acetate 2.43
    di(2-ethylhexyl) phthalate 0.76
    ethyl propionate 0.86
    nitromethane 41.82
    1,2-diethoxyethane 1.89
    benzonitrile 0.93
    trioctyl phosphate 0.47
    1-bromopropane 0.23
    gamma-valerolactone 24.46
    n-decanol 0.28
    triethyl phosphate 0.54
    4-methyl-2-pentanol 0.13
    propionitrile 0.68
    vinylene carbonate 4.97
    1,1,2-trichlorotrifluoroethane 23.82
    DMS 2.33
    cumene 0.11
    2-octanol 0.29
    2-hexanone 0.79
    octyl acetate 0.63
    limonene 0.17
    1,2-dimethoxyethane 8.21
    ethyl orthosilicate 0.47
    tributyl phosphate 0.39
    diacetone alcohol 3.07
    N,N-dimethylaniline 1.0
    acrylonitrile 2.27
    aniline 0.8
    1,3-propanediol 2.62
    bromobenzene 0.44
    dibromomethane 0.9
    1,1,2,2-tetrachloroethane 3.27
    2-methyl-cyclohexyl acetate 0.64
    tetrabutyl urea 0.87
    diisobutyl methanol 0.11
    2-phenylethanol 1.12
    styrene 0.21
    dioctyl adipate 0.86
    dimethyl sulfate 15.34
    ethyl butyrate 0.66
    methyl lactate 6.67
    butyl lactate 1.93
    diethyl carbonate 0.48
    propanediol butyl ether 5.74
    triethyl orthoformate 0.84
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 3.08
    morpholine 7.37
    tert-butylamine 0.11
    n-dodecanol 0.16
    dimethoxymethane 21.78
    ethylene carbonate 2.44
    cyrene 9.48
    2-ethoxyethyl acetate 4.03
    2-ethylhexyl acetate 0.38
    1,2,4-trichlorobenzene 1.07
    4-methylpyridine 2.02
    dibutyl ether 0.3
    2,6-dimethyl-4-heptanol 0.11
    DEF 3.37
    dimethyl isosorbide 7.76
    tetrachloroethylene 2.45
    eugenol 3.44
    triacetin 4.11
    span 80 3.58
    1,4-butanediol 1.34
    1,1-dichloroethane 0.65
    2-methyl-1-pentanol 0.2
    methyl formate 17.94
    2-methyl-1-butanol 0.22
    n-decane 0.03
    butyronitrile 0.36
    3,7-dimethyl-1-octanol 0.25
    1-chlorooctane 0.15
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.73
    tetrahydropyran 1.36
    tert-amyl methyl ether 0.38
    2,5,8-trioxanonane 7.47
    1-hexene 0.06
    2-isopropoxyethanol 2.68
    2,2,2-trifluoroethanol 8.37
    methyl butyrate 1.08

    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