26-O-beta-glucopyranosyl 3beta,26-dihydroxy-(25R)-5alpha-furost-20(22)-en-6-one 3-O-beta-xylopyranosyl-(1->4)-[alpha-arbinopyranosyl(1->6)]-beta-glucopyranoside

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  • Identifiers

    CAS number
    172589-64-9

    Molecular formula
    C49H78O22

    SMILES
    CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC(=O)[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)C)C)CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.66%
    Sweet 31.15%
    Woody 29.55%
    Cooling 24.84%
    Spicy 24.07%
    Mint 20.8%
    Warm 18.77%
    Milky 18.27%
    Vanilla 17.75%
    Savory 16.39%

     

    Flavor
    Bitter 53.0%
    Fatty 38.23%
    Odorless 31.93%
    Sweet 30.01%
    Sweet-like 28.56%
    Bland 24.87%
    Metallic 22.0%
    Cedarleaf 21.27%
    Cauliflower 21.15%
    Mentholic 20.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.7

    pKa est.
    5.03 (weak acid)

    Molecular weight
    1019.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    3813°C

    Flash point

    • 231.76 ˚C est.

  • Synonyms

    • DTXSID601100697
    • (3I(2),5I+/-,25R)-3-[(O-I+/--L-Arabinopyranosyl-(1a6)-O-[I(2)-D-xylopyranosyl-(1a4)]-I(2)-D-glucopyranosyl)oxy]-26-(I(2)-D-glucopyranosyloxy)furost-20(22)-en-6-one
    • 172589-64-9
    • 26-O-beta-glucopyranosyl 3beta,26-dihydroxy-(25R)-5alpha-furost-20(22)-en-6-one 3-O-beta-xylopyranosyl-(1->4)-[alpha-arbinopyranosyl(1->6)]-beta-glucopyranoside
    • 172589-64-9

  • Applications

    For the compound 26-O-beta-glucopyranosyl 3beta,26-dihydroxy-(25R)-5alpha-furost-20(22)-en-6-one 3-O-beta-xylopyranosyl-(1->4)-[alpha-arbinopyranosyl(1->6)]-beta-glucopyranoside (CAS 172589-64-9), practical applications may include: a pharmaceutical research and development intermediate for synthesizing steroid glycoside derivatives; evaluated as a surfactant or emulsifier in cosmetics and personal care formulations; usable as a cleaning or household product surfactant; serving as an analytical reference standard for glycoside analysis; and as a starting material for the synthesis of complex steroid glycoside derivatives in the pharmaceutical and organic synthesis industries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.48
    methanol 5.34
    isopropanol 0.11
    water 0.16
    ethyl acetate 0.3
    n-propanol 0.24
    acetone 0.87
    n-butanol 0.13
    acetonitrile 0.39
    DMF 10.03
    toluene 0.13
    isobutanol 0.09
    1,4-dioxane 2.01
    methyl acetate 0.42
    THF 2.77
    2-butanone 0.46
    n-pentanol 0.13
    sec-butanol 0.07
    n-hexane 0.0
    ethylene glycol 1.49
    NMP 10.18
    cyclohexane 0.01
    DMSO 13.77
    n-butyl acetate 0.19
    n-octanol 0.27
    chloroform 0.53
    n-propyl acetate 0.21
    acetic acid 5.44
    dichloromethane 0.59
    cyclohexanone 0.9
    propylene glycol 0.76
    isopropyl acetate 0.21
    DMAc 8.19
    2-ethoxyethanol 2.28
    isopentanol 0.08
    n-heptane 0.01
    ethyl formate 0.56
    1,2-dichloroethane 0.27
    n-hexanol 0.11
    2-methoxyethanol 4.87
    isobutyl acetate 0.14
    tetrachloromethane 0.07
    n-pentyl acetate 0.59
    transcutol 6.41
    n-heptanol 0.29
    ethylbenzene 0.05
    MIBK 0.23
    2-propoxyethanol 2.11
    tert-butanol 0.07
    MTBE 0.07
    2-butoxyethanol 2.43
    propionic acid 0.57
    o-xylene 0.09
    formic acid 15.51
    diethyl ether 0.14
    m-xylene 0.1
    p-xylene 0.07
    chlorobenzene 0.15
    dimethyl carbonate 1.42
    n-octane 0.01
    formamide 9.92
    cyclopentanone 1.9
    2-pentanone 0.37
    anisole 0.31
    cyclopentyl methyl ether 0.45
    gamma-butyrolactone 2.83
    1-methoxy-2-propanol 1.99
    pyridine 1.23
    3-pentanone 0.31
    furfural 6.45
    n-dodecane 0.01
    diethylene glycol 3.74
    diisopropyl ether 0.03
    tert-amyl alcohol 0.06
    acetylacetone 1.53
    n-hexadecane 0.01
    acetophenone 0.59
    methyl propionate 0.57
    isopentyl acetate 0.17
    trichloroethylene 0.95
    n-nonanol 0.29
    cyclohexanol 0.11
    benzyl alcohol 0.49
    2-ethylhexanol 0.07
    isooctanol 0.18
    dipropyl ether 0.17
    1,2-dichlorobenzene 0.17
    ethyl lactate 0.59
    propylene carbonate 0.94
    n-methylformamide 4.53
    2-pentanol 0.05
    n-pentane 0.0
    1-propoxy-2-propanol 1.05
    1-methoxy-2-propyl acetate 0.95
    2-(2-methoxypropoxy) propanol 1.72
    mesitylene 0.05
    ε-caprolactone 0.95
    p-cymene 0.06
    epichlorohydrin 2.44
    1,1,1-trichloroethane 0.11
    2-aminoethanol 1.32
    morpholine-4-carbaldehyde 13.5
    sulfolane 8.97
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.37
    n-hexyl acetate 0.59
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.93
    sec-butyl acetate 0.12
    tert-butyl acetate 0.23
    decalin 0.01
    glycerin 4.09
    diglyme 6.24
    acrylic acid 1.81
    isopropyl myristate 0.14
    n-butyric acid 0.49
    acetyl acetate 0.57
    di(2-ethylhexyl) phthalate 0.41
    ethyl propionate 0.21
    nitromethane 9.41
    1,2-diethoxyethane 0.73
    benzonitrile 0.38
    trioctyl phosphate 0.24
    1-bromopropane 0.06
    gamma-valerolactone 9.27
    n-decanol 0.16
    triethyl phosphate 0.19
    4-methyl-2-pentanol 0.04
    propionitrile 0.18
    vinylene carbonate 1.53
    1,1,2-trichlorotrifluoroethane 7.0
    DMS 0.69
    cumene 0.04
    2-octanol 0.13
    2-hexanone 0.24
    octyl acetate 0.3
    limonene 0.06
    1,2-dimethoxyethane 2.54
    ethyl orthosilicate 0.16
    tributyl phosphate 0.18
    diacetone alcohol 0.75
    N,N-dimethylaniline 0.28
    acrylonitrile 0.57
    aniline 0.27
    1,3-propanediol 1.02
    bromobenzene 0.12
    dibromomethane 0.2
    1,1,2,2-tetrachloroethane 0.6
    2-methyl-cyclohexyl acetate 0.23
    tetrabutyl urea 0.4
    diisobutyl methanol 0.04
    2-phenylethanol 0.43
    styrene 0.07
    dioctyl adipate 0.42
    dimethyl sulfate 3.76
    ethyl butyrate 0.2
    methyl lactate 1.81
    butyl lactate 0.95
    diethyl carbonate 0.14
    propanediol butyl ether 2.84
    triethyl orthoformate 0.27
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 1.34
    morpholine 1.9
    tert-butylamine 0.02
    n-dodecanol 0.09
    dimethoxymethane 4.34
    ethylene carbonate 0.78
    cyrene 3.83
    2-ethoxyethyl acetate 1.81
    2-ethylhexyl acetate 0.13
    1,2,4-trichlorobenzene 0.28
    4-methylpyridine 0.62
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.04
    DEF 1.02
    dimethyl isosorbide 3.48
    tetrachloroethylene 0.54
    eugenol 1.8
    triacetin 1.67
    span 80 1.76
    1,4-butanediol 0.56
    1,1-dichloroethane 0.11
    2-methyl-1-pentanol 0.08
    methyl formate 4.38
    2-methyl-1-butanol 0.08
    n-decane 0.02
    butyronitrile 0.13
    3,7-dimethyl-1-octanol 0.12
    1-chlorooctane 0.06
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.19
    tetrahydropyran 0.35
    tert-amyl methyl ether 0.08
    2,5,8-trioxanonane 4.03
    1-hexene 0.02
    2-isopropoxyethanol 0.96
    2,2,2-trifluoroethanol 2.68
    methyl butyrate 0.29

    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