(3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxy-13-methyldammar-24-en-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranoside

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  • Identifiers

    CAS number
    146445-91-2

    Molecular formula
    C47H76O18

    SMILES
    CC(=CC1CC(C2C3CCC4C5(CCC(C(C5CCC4(C36CC2(O1)OC6)C)(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.06%
    Sweet 39.28%
    Woody 36.28%
    Spicy 30.27%
    Mint 26.47%
    Cooling 26.0%
    Balsamic 23.67%
    Amber 23.58%
    Warm 22.01%
    Dry 21.67%

     

    Flavor
    Bitter 49.1%
    Fatty 40.06%
    Sweet 31.54%
    Odorless 26.78%
    Sweet-like 26.4%
    Metallic 23.89%
    Cedarleaf 21.82%
    Bland 20.91%
    Mentholic 20.89%
    Cauliflower 20.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    4.26 (weak acid)

    Molecular weight
    929.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1883°C

    Melting point expt.

    • 246 - 248 °C

    Flash point

    • 209.53 ˚C est.

  • Synonyms

    • 146445-91-2
    • (3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxy-13-methyldammar-24-en-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-alpha-L-arabinopyranoside
    • (3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxy-13-methyldammar-24-en-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranoside
    • RefChem:207916
    • Hoduloside IV
    • CHEBI:186226
    • DTXSID101100404
    • (3I(2),16I(2),23R)-16,23:16,30-Diepoxy-20-hydroxy-13-methyldammar-24-en-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranoside
    • 2-[5-hydroxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • 146445-91-2

  • Applications

    For the compound (3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxy-13-methyldammar-24-en-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranoside (CAS 146445-91-2), practical applications typically include: (1) cosmetics/personal care as a surfactant and mild emulsifier derived from a saponin glycoside; (2) household cleaning products as a surfactant and foaming agent; (3) industrial manufacturing as an emulsifier and stabilizer in formulations and emulsions; (4) polymers/plastics as a compatibilizer or processing aid in glycoside-containing blends; and (5) pharmaceutical and nutraceutical research as an intermediate or lead dammarane-type glycoside for development of bioactive derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.48
    methanol 20.28
    isopropanol 0.3
    water 0.21
    ethyl acetate 1.89
    n-propanol 0.84
    acetone 4.04
    n-butanol 0.32
    acetonitrile 2.02
    DMF 47.72
    toluene 0.56
    isobutanol 0.33
    1,4-dioxane 7.12
    methyl acetate 2.63
    THF 10.59
    2-butanone 2.22
    n-pentanol 0.39
    sec-butanol 0.22
    n-hexane 0.02
    ethylene glycol 4.3
    NMP 59.72
    cyclohexane 0.03
    DMSO 46.19
    n-butyl acetate 1.09
    n-octanol 0.56
    chloroform 4.4
    n-propyl acetate 1.24
    acetic acid 33.33
    dichloromethane 5.62
    cyclohexanone 3.37
    propylene glycol 2.5
    isopropyl acetate 1.04
    DMAc 34.6
    2-ethoxyethanol 7.24
    isopentanol 0.2
    n-heptane 0.03
    ethyl formate 2.9
    1,2-dichloroethane 2.02
    n-hexanol 0.36
    2-methoxyethanol 14.66
    isobutyl acetate 0.71
    tetrachloromethane 0.41
    n-pentyl acetate 1.96
    transcutol 13.39
    n-heptanol 0.7
    ethylbenzene 0.24
    MIBK 0.84
    2-propoxyethanol 8.16
    tert-butanol 0.23
    MTBE 0.26
    2-butoxyethanol 6.56
    propionic acid 3.52
    o-xylene 0.36
    formic acid 69.41
    diethyl ether 0.55
    m-xylene 0.38
    p-xylene 0.32
    chlorobenzene 0.96
    dimethyl carbonate 7.57
    n-octane 0.02
    formamide 41.6
    cyclopentanone 9.5
    2-pentanone 1.44
    anisole 1.36
    cyclopentyl methyl ether 1.92
    gamma-butyrolactone 18.92
    1-methoxy-2-propanol 6.04
    pyridine 5.96
    3-pentanone 1.48
    furfural 28.36
    n-dodecane 0.02
    diethylene glycol 12.13
    diisopropyl ether 0.12
    tert-amyl alcohol 0.21
    acetylacetone 6.95
    n-hexadecane 0.02
    acetophenone 2.75
    methyl propionate 3.6
    isopentyl acetate 0.83
    trichloroethylene 8.14
    n-nonanol 0.59
    cyclohexanol 0.31
    benzyl alcohol 1.78
    2-ethylhexanol 0.25
    isooctanol 0.47
    dipropyl ether 0.63
    1,2-dichlorobenzene 1.2
    ethyl lactate 2.55
    propylene carbonate 6.64
    n-methylformamide 22.1
    2-pentanol 0.14
    n-pentane 0.02
    1-propoxy-2-propanol 3.81
    1-methoxy-2-propyl acetate 4.34
    2-(2-methoxypropoxy) propanol 5.1
    mesitylene 0.2
    ε-caprolactone 4.44
    p-cymene 0.26
    epichlorohydrin 14.44
    1,1,1-trichloroethane 0.99
    2-aminoethanol 4.6
    morpholine-4-carbaldehyde 47.5
    sulfolane 46.28
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.83
    n-hexyl acetate 1.81
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.11
    sec-butyl acetate 0.59
    tert-butyl acetate 1.1
    decalin 0.02
    glycerin 12.08
    diglyme 14.75
    acrylic acid 10.75
    isopropyl myristate 0.41
    n-butyric acid 2.2
    acetyl acetate 3.33
    di(2-ethylhexyl) phthalate 1.4
    ethyl propionate 1.19
    nitromethane 59.19
    1,2-diethoxyethane 1.92
    benzonitrile 1.74
    trioctyl phosphate 0.76
    1-bromopropane 0.37
    gamma-valerolactone 36.42
    n-decanol 0.33
    triethyl phosphate 0.98
    4-methyl-2-pentanol 0.11
    propionitrile 0.91
    vinylene carbonate 10.58
    1,1,2-trichlorotrifluoroethane 35.29
    DMS 3.25
    cumene 0.17
    2-octanol 0.29
    2-hexanone 0.98
    octyl acetate 0.85
    limonene 0.28
    1,2-dimethoxyethane 7.29
    ethyl orthosilicate 0.78
    tributyl phosphate 0.63
    diacetone alcohol 2.65
    N,N-dimethylaniline 1.15
    acrylonitrile 3.16
    aniline 1.02
    1,3-propanediol 2.47
    bromobenzene 0.92
    dibromomethane 1.83
    1,1,2,2-tetrachloroethane 4.12
    2-methyl-cyclohexyl acetate 1.21
    tetrabutyl urea 1.26
    diisobutyl methanol 0.13
    2-phenylethanol 1.8
    styrene 0.31
    dioctyl adipate 1.29
    dimethyl sulfate 20.77
    ethyl butyrate 1.09
    methyl lactate 8.08
    butyl lactate 3.06
    diethyl carbonate 0.82
    propanediol butyl ether 6.67
    triethyl orthoformate 1.21
    p-tert-butyltoluene 0.23
    methyl 4-tert-butylbenzoate 4.51
    morpholine 6.99
    tert-butylamine 0.07
    n-dodecanol 0.19
    dimethoxymethane 18.16
    ethylene carbonate 4.93
    cyrene 15.12
    2-ethoxyethyl acetate 6.12
    2-ethylhexyl acetate 0.69
    1,2,4-trichlorobenzene 1.89
    4-methylpyridine 2.77
    dibutyl ether 0.31
    2,6-dimethyl-4-heptanol 0.13
    DEF 4.09
    dimethyl isosorbide 12.69
    tetrachloroethylene 3.6
    eugenol 5.66
    triacetin 6.54
    span 80 4.89
    1,4-butanediol 1.49
    1,1-dichloroethane 0.85
    2-methyl-1-pentanol 0.25
    methyl formate 22.11
    2-methyl-1-butanol 0.23
    n-decane 0.03
    butyronitrile 0.49
    3,7-dimethyl-1-octanol 0.33
    1-chlorooctane 0.19
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 0.73
    tetrahydropyran 1.27
    tert-amyl methyl ether 0.3
    2,5,8-trioxanonane 9.33
    1-hexene 0.06
    2-isopropoxyethanol 3.03
    2,2,2-trifluoroethanol 15.03
    methyl butyrate 1.52

    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