beta-D-Glucopyranosyl 22(R),28-epoxy-1alpha,3beta,24(S),28-tetrahydroxy-4alpha,14-dimethyl-9,19-cycloergostane-4-carboxylate

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  • Identifiers

    CAS number
    1392-82-1

    Molecular formula
    C37H60O12

    SMILES
    C[C@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)[C@H](C[C@@H]([C@@]5(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)C)[C@H]7C[C@@]([C@@H](O7)O)(C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 55.5%
    Woody 44.18%
    Cooling 29.55%
    Spicy 27.52%
    Amber 27.12%
    Sweet 26.91%
    Mint 26.16%
    Balsamic 25.95%
    Dry 24.0%
    Sandalwood 23.96%

     

    Flavor
    Bitter 57.44%
    Odorless 30.44%
    Fatty 30.29%
    Sweet-like 26.5%
    Bland 24.98%
    Sweet 23.0%
    Cedarleaf 22.68%
    Patchouli 21.1%
    Mentholic 20.79%
    Sandalwood 20.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    4.61 (weak acid)

    Molecular weight
    696.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    618°C

    Flash point

    • 227.03 ˚C est.

  • Synonyms

    • EINECS 215-730-7
    • DTXSID20160958
    • 1392-82-1
    • beta-D-Glucopyranosyl 22(R),28-epoxy-1alpha,3beta,24(S),28-tetrahydroxy-4alpha,14-dimethyl-9,19-cycloergostane-4-carboxylate
    • RefChem:119307
    • DTXCID7083449
    • 215-730-7
    • 1-O-{[(20R,22R,24S,24~1~R)-1alpha,3beta,24,24~1~-Tetrahydroxy-4beta,14-dimethyl-5alpha,9beta-22,24~1~-epoxy-9,19-cycloergostan-4alpha-yl]carbonyl}-beta-D-glucopyranose
    • 1392-82-1

  • Applications

    beta-D-Glucopyranosyl 22(R),28-epoxy-1alpha,3beta,24(S),28-tetrahydroxy-4alpha,14-dimethyl-9,19-cycloergostane-4-carboxylate; CAS number: 1392-82-1 may serve as an intermediate for the synthesis of glycosyl sterols and related steroid derivatives, supporting pharmaceutical and cosmetic R&D; it can be used as a building block or precursor in drug discovery programs and in the development of glycoside-based formulations for personal care; in research, it is employed as a reagent in glycosylation reactions and in the preparation of sterol glycoside libraries to explore structure-activity relationships; its multiple hydroxyl groups make it a potential starting material for functionalization toward specialty chemicals and polymer-related applications or as a niche bioconjugation scaffold; use of this compound is subject to local regulations and formulation limits, and the exact applications depend on regulatory clearance and formulation design.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.06
    methanol 26.07
    isopropanol 1.95
    water 0.09
    ethyl acetate 3.12
    n-propanol 3.08
    acetone 8.28
    n-butanol 1.59
    acetonitrile 2.37
    DMF 34.56
    toluene 0.45
    isobutanol 1.19
    1,4-dioxane 13.28
    methyl acetate 4.12
    THF 25.88
    2-butanone 4.76
    n-pentanol 1.05
    sec-butanol 1.0
    n-hexane 0.03
    ethylene glycol 6.96
    NMP 33.11
    cyclohexane 0.05
    DMSO 56.19
    n-butyl acetate 1.44
    n-octanol 0.89
    chloroform 5.28
    n-propyl acetate 1.43
    acetic acid 39.88
    dichloromethane 4.52
    cyclohexanone 6.23
    propylene glycol 5.69
    isopropyl acetate 1.96
    DMAc 32.77
    2-ethoxyethanol 13.08
    isopentanol 0.91
    n-heptane 0.04
    ethyl formate 3.77
    1,2-dichloroethane 2.33
    n-hexanol 1.02
    2-methoxyethanol 33.39
    isobutyl acetate 0.77
    tetrachloromethane 0.7
    n-pentyl acetate 2.36
    transcutol 18.09
    n-heptanol 1.27
    ethylbenzene 0.21
    MIBK 1.76
    2-propoxyethanol 13.93
    tert-butanol 1.35
    MTBE 1.02
    2-butoxyethanol 9.14
    propionic acid 5.64
    o-xylene 0.33
    formic acid 32.63
    diethyl ether 1.68
    m-xylene 0.31
    p-xylene 0.25
    chlorobenzene 0.75
    dimethyl carbonate 6.15
    n-octane 0.02
    formamide 27.74
    cyclopentanone 14.18
    2-pentanone 3.2
    anisole 1.32
    cyclopentyl methyl ether 3.01
    gamma-butyrolactone 19.73
    1-methoxy-2-propanol 16.41
    pyridine 5.85
    3-pentanone 2.35
    furfural 17.02
    n-dodecane 0.02
    diethylene glycol 17.35
    diisopropyl ether 0.31
    tert-amyl alcohol 0.95
    acetylacetone 8.26
    n-hexadecane 0.02
    acetophenone 1.97
    methyl propionate 4.36
    isopentyl acetate 1.29
    trichloroethylene 7.09
    n-nonanol 0.97
    cyclohexanol 0.84
    benzyl alcohol 1.97
    2-ethylhexanol 0.42
    isooctanol 0.8
    dipropyl ether 0.93
    1,2-dichlorobenzene 0.8
    ethyl lactate 2.42
    propylene carbonate 6.26
    n-methylformamide 19.96
    2-pentanol 0.62
    n-pentane 0.04
    1-propoxy-2-propanol 5.67
    1-methoxy-2-propyl acetate 5.74
    2-(2-methoxypropoxy) propanol 5.15
    mesitylene 0.17
    ε-caprolactone 7.07
    p-cymene 0.2
    epichlorohydrin 17.36
    1,1,1-trichloroethane 1.36
    2-aminoethanol 9.52
    morpholine-4-carbaldehyde 39.14
    sulfolane 32.78
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 4.43
    n-hexyl acetate 2.44
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 8.7
    sec-butyl acetate 0.85
    tert-butyl acetate 2.16
    decalin 0.03
    glycerin 18.23
    diglyme 17.63
    acrylic acid 10.76
    isopropyl myristate 0.53
    n-butyric acid 5.69
    acetyl acetate 3.99
    di(2-ethylhexyl) phthalate 1.13
    ethyl propionate 1.46
    nitromethane 42.18
    1,2-diethoxyethane 3.08
    benzonitrile 1.21
    trioctyl phosphate 0.8
    1-bromopropane 0.58
    gamma-valerolactone 43.43
    n-decanol 0.5
    triethyl phosphate 0.95
    4-methyl-2-pentanol 0.42
    propionitrile 1.42
    vinylene carbonate 7.14
    1,1,2-trichlorotrifluoroethane 29.32
    DMS 3.21
    cumene 0.16
    2-octanol 0.55
    2-hexanone 1.52
    octyl acetate 1.05
    limonene 0.29
    1,2-dimethoxyethane 12.35
    ethyl orthosilicate 0.84
    tributyl phosphate 0.69
    diacetone alcohol 5.45
    N,N-dimethylaniline 0.96
    acrylonitrile 3.26
    aniline 1.31
    1,3-propanediol 10.37
    bromobenzene 0.57
    dibromomethane 1.92
    1,1,2,2-tetrachloroethane 4.77
    2-methyl-cyclohexyl acetate 1.17
    tetrabutyl urea 1.1
    diisobutyl methanol 0.25
    2-phenylethanol 2.14
    styrene 0.24
    dioctyl adipate 1.21
    dimethyl sulfate 13.71
    ethyl butyrate 1.24
    methyl lactate 9.15
    butyl lactate 3.09
    diethyl carbonate 0.93
    propanediol butyl ether 7.79
    triethyl orthoformate 1.28
    p-tert-butyltoluene 0.2
    methyl 4-tert-butylbenzoate 3.94
    morpholine 15.46
    tert-butylamine 0.35
    n-dodecanol 0.27
    dimethoxymethane 21.76
    ethylene carbonate 4.95
    cyrene 9.0
    2-ethoxyethyl acetate 7.07
    2-ethylhexyl acetate 0.86
    1,2,4-trichlorobenzene 1.3
    4-methylpyridine 2.87
    dibutyl ether 0.49
    2,6-dimethyl-4-heptanol 0.25
    DEF 5.37
    dimethyl isosorbide 9.12
    tetrachloroethylene 3.68
    eugenol 4.33
    triacetin 5.34
    span 80 4.89
    1,4-butanediol 3.14
    1,1-dichloroethane 1.36
    2-methyl-1-pentanol 0.65
    methyl formate 15.09
    2-methyl-1-butanol 0.85
    n-decane 0.04
    butyronitrile 1.09
    3,7-dimethyl-1-octanol 0.53
    1-chlorooctane 0.22
    1-chlorotetradecane 0.06
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.9
    tetrahydropyran 3.41
    tert-amyl methyl ether 0.84
    2,5,8-trioxanonane 9.74
    1-hexene 0.12
    2-isopropoxyethanol 5.08
    2,2,2-trifluoroethanol 14.83
    methyl butyrate 1.92

    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