Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-11,14,19-trihydroxy-, (3I(2),5I(2),11I+/-)-

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  • Identifiers

    CAS number
    210637-18-6

    Molecular formula
    C35H54O14

    SMILES
    C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.57%
    Sweet 31.71%
    Woody 24.59%
    Cooling 23.57%
    Vanilla 21.74%
    Spicy 21.39%
    Mint 20.86%
    Milky 19.67%
    Creamy 16.99%
    Balsamic 16.51%

     

    Flavor
    Bitter 59.0%
    Fatty 45.92%
    Odorless 27.63%
    Sweet-like 27.47%
    Metallic 23.94%
    Sweet 23.1%
    Bland 22.65%
    Cauliflower 21.86%
    Cedarleaf 21.85%
    Alkaline 21.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.5

    pKa est.
    4.54 (weak acid)

    Molecular weight
    698.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    2641°C

    Flash point

    • 291.04 ˚C est.

  • Synonyms

    • DTXSID501104434
    • 210637-18-6
    • Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-11,14,19-trihydroxy-, (3I(2),5I(2),11I+/-)-
    • 210637-18-6

  • Applications

    Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-11,14,19-trihydroxy-, (3I(2),5I(2),11I+/-)-; CAS 210637-18-6 is a glycosylated enolide lactone that is viewed primarily as a pharmaceutical synthesis intermediate and a chiral building block in organic synthesis; in drug discovery, it can serve as a lead scaffold for glycosylated macrolide-like compounds and as a starting material for library generation; it is also used as a chemical probe to study structure-activity relationships and enzyme systems such as glycosyltransferases and glycosidases; use is subject to local regulations and the limits of each application.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.3
    methanol 28.84
    isopropanol 0.49
    water 0.37
    ethyl acetate 1.34
    n-propanol 1.02
    acetone 5.39
    n-butanol 0.53
    acetonitrile 1.55
    DMF 38.51
    toluene 0.35
    isobutanol 0.35
    1,4-dioxane 8.57
    methyl acetate 1.59
    THF 13.01
    2-butanone 1.91
    n-pentanol 0.39
    sec-butanol 0.25
    n-hexane 0.01
    ethylene glycol 6.86
    NMP 29.09
    cyclohexane 0.03
    DMSO 63.6
    n-butyl acetate 0.48
    n-octanol 0.55
    chloroform 2.2
    n-propyl acetate 0.58
    acetic acid 24.93
    dichloromethane 2.61
    cyclohexanone 3.73
    propylene glycol 3.1
    isopropyl acetate 0.76
    DMAc 24.27
    2-ethoxyethanol 7.66
    isopentanol 0.27
    n-heptane 0.02
    ethyl formate 2.37
    1,2-dichloroethane 1.24
    n-hexanol 0.32
    2-methoxyethanol 22.68
    isobutyl acetate 0.31
    tetrachloromethane 0.28
    n-pentyl acetate 1.23
    transcutol 11.24
    n-heptanol 0.64
    ethylbenzene 0.14
    MIBK 0.78
    2-propoxyethanol 6.28
    tert-butanol 0.29
    MTBE 0.2
    2-butoxyethanol 4.84
    propionic acid 2.22
    o-xylene 0.23
    formic acid 51.44
    diethyl ether 0.58
    m-xylene 0.23
    p-xylene 0.17
    chlorobenzene 0.48
    dimethyl carbonate 4.93
    n-octane 0.02
    formamide 36.98
    cyclopentanone 8.57
    2-pentanone 1.47
    anisole 0.83
    cyclopentyl methyl ether 1.44
    gamma-butyrolactone 11.3
    1-methoxy-2-propanol 7.68
    pyridine 4.51
    3-pentanone 1.15
    furfural 17.01
    n-dodecane 0.01
    diethylene glycol 12.59
    diisopropyl ether 0.09
    tert-amyl alcohol 0.2
    acetylacetone 6.53
    n-hexadecane 0.01
    acetophenone 1.52
    methyl propionate 2.24
    isopentyl acetate 0.39
    trichloroethylene 4.03
    n-nonanol 0.58
    cyclohexanol 0.36
    benzyl alcohol 1.37
    2-ethylhexanol 0.15
    isooctanol 0.37
    dipropyl ether 0.38
    1,2-dichlorobenzene 0.54
    ethyl lactate 1.44
    propylene carbonate 3.45
    n-methylformamide 18.38
    2-pentanol 0.17
    n-pentane 0.01
    1-propoxy-2-propanol 2.43
    1-methoxy-2-propyl acetate 2.18
    2-(2-methoxypropoxy) propanol 3.14
    mesitylene 0.13
    ε-caprolactone 3.32
    p-cymene 0.12
    epichlorohydrin 10.28
    1,1,1-trichloroethane 0.48
    2-aminoethanol 5.74
    morpholine-4-carbaldehyde 34.42
    sulfolane 29.64
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.45
    n-hexyl acetate 1.24
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.51
    sec-butyl acetate 0.29
    tert-butyl acetate 0.72
    decalin 0.01
    glycerin 14.13
    diglyme 11.84
    acrylic acid 5.94
    isopropyl myristate 0.3
    n-butyric acid 2.17
    acetyl acetate 2.25
    di(2-ethylhexyl) phthalate 0.77
    ethyl propionate 0.62
    nitromethane 37.03
    1,2-diethoxyethane 1.62
    benzonitrile 1.08
    trioctyl phosphate 0.51
    1-bromopropane 0.21
    gamma-valerolactone 31.24
    n-decanol 0.33
    triethyl phosphate 0.38
    4-methyl-2-pentanol 0.12
    propionitrile 0.7
    vinylene carbonate 5.32
    1,1,2-trichlorotrifluoroethane 19.9
    DMS 1.72
    cumene 0.09
    2-octanol 0.28
    2-hexanone 0.68
    octyl acetate 0.6
    limonene 0.14
    1,2-dimethoxyethane 7.85
    ethyl orthosilicate 0.32
    tributyl phosphate 0.41
    diacetone alcohol 2.31
    N,N-dimethylaniline 0.64
    acrylonitrile 2.08
    aniline 0.83
    1,3-propanediol 4.96
    bromobenzene 0.38
    dibromomethane 0.88
    1,1,2,2-tetrachloroethane 2.36
    2-methyl-cyclohexyl acetate 0.47
    tetrabutyl urea 0.86
    diisobutyl methanol 0.09
    2-phenylethanol 1.09
    styrene 0.18
    dioctyl adipate 0.8
    dimethyl sulfate 11.32
    ethyl butyrate 0.48
    methyl lactate 5.91
    butyl lactate 1.77
    diethyl carbonate 0.32
    propanediol butyl ether 5.28
    triethyl orthoformate 0.52
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 2.53
    morpholine 7.43
    tert-butylamine 0.08
    n-dodecanol 0.19
    dimethoxymethane 18.32
    ethylene carbonate 2.92
    cyrene 7.56
    2-ethoxyethyl acetate 3.66
    2-ethylhexyl acetate 0.29
    1,2,4-trichlorobenzene 0.8
    4-methylpyridine 1.96
    dibutyl ether 0.27
    2,6-dimethyl-4-heptanol 0.09
    DEF 3.27
    dimethyl isosorbide 6.13
    tetrachloroethylene 2.15
    eugenol 3.2
    triacetin 2.9
    span 80 3.14
    1,4-butanediol 1.87
    1,1-dichloroethane 0.51
    2-methyl-1-pentanol 0.21
    methyl formate 17.57
    2-methyl-1-butanol 0.25
    n-decane 0.03
    butyronitrile 0.52
    3,7-dimethyl-1-octanol 0.26
    1-chlorooctane 0.14
    1-chlorotetradecane 0.04
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.76
    tetrahydropyran 1.44
    tert-amyl methyl ether 0.2
    2,5,8-trioxanonane 7.59
    1-hexene 0.04
    2-isopropoxyethanol 2.54
    2,2,2-trifluoroethanol 9.64
    methyl butyrate 0.86

    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