(3beta)-3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-14-hydroxycarda-4,20(22)-dienolide

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  • Identifiers

    CAS number
    35536-76-6

    Molecular formula
    C29H42O8

    SMILES
    CC1[C@@H](C(C([C@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC=C3C2)O)C6=CC(=O)OC6)C)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 46.85%
    Spicy 39.87%
    Odorless 37.5%
    Balsamic 26.14%
    Sweet 25.78%
    Amber 22.78%
    Warm 21.16%
    Cedar 21.1%
    Fresh 20.7%
    Herbal 20.59%

     

    Flavor
    Bitter 67.45%
    Fatty 37.68%
    Sweet-like 23.02%
    Cedarleaf 22.89%
    Soil 20.81%
    Beet 20.78%
    Ripe apricot 20.76%
    Metallic 20.62%
    Alkaline 20.6%
    Green tea 20.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    4.5 (weak acid)

    Molecular weight
    518.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    418°C

    Flash point

    • 262.15 ˚C est.

  • Synonyms

    • Corchoroside B
    • 35536-76-6
    • RefChem:905983
    • (3beta)-3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-14-hydroxycarda-4,20(22)-dienolide
    • Corchoriside B
    • Corchorosid B
    • Corchorosid B [German]
    • Carda-5,20(22)-dienolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-14-hydroxy-, (3-beta)-
    • 35536-76-6

  • Applications

    (3beta)-3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-14-hydroxycarda-4,20(22)-dienolide (CAS 35536-76-6) is applied mainly in drug discovery and organic synthesis: it is considered a cardenolide glycoside lead or intermediate, containing a deoxy-mannose sugar, and may serve as a lead or precursor in developing cardioactive agents related to Na+/K+-ATPase inhibition; used as a synthetic building block for complex glycosides and as a precursor in natural products research; functions as a reference standard for analytical methods and quality control of cardenolides using LC-MS/NMR; participates in glycosylation studies and in probing the linkage of the sugar moiety to the aglycone; and employed in natural product structure and biosynthesis studies within analytical and medicinal chemistry programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.0
    methanol 10.66
    isopropanol 0.64
    water 0.04
    ethyl acetate 1.22
    n-propanol 1.28
    acetone 4.1
    n-butanol 0.97
    acetonitrile 1.05
    DMF 14.81
    toluene 0.76
    isobutanol 0.51
    1,4-dioxane 8.13
    methyl acetate 1.24
    THF 16.48
    2-butanone 2.0
    n-pentanol 0.64
    sec-butanol 0.32
    n-hexane 0.02
    ethylene glycol 1.39
    NMP 10.86
    cyclohexane 0.05
    DMSO 19.68
    n-butyl acetate 0.57
    n-octanol 0.76
    chloroform 4.97
    n-propyl acetate 0.62
    acetic acid 10.04
    dichloromethane 3.61
    cyclohexanone 4.47
    propylene glycol 1.22
    isopropyl acetate 1.03
    DMAc 15.02
    2-ethoxyethanol 7.07
    isopentanol 0.63
    n-heptane 0.03
    ethyl formate 1.5
    1,2-dichloroethane 1.61
    n-hexanol 0.62
    2-methoxyethanol 16.63
    isobutyl acetate 0.45
    tetrachloromethane 0.53
    n-pentyl acetate 1.63
    transcutol 15.14
    n-heptanol 1.07
    ethylbenzene 0.31
    MIBK 1.37
    2-propoxyethanol 8.87
    tert-butanol 0.49
    MTBE 0.43
    2-butoxyethanol 7.09
    propionic acid 1.42
    o-xylene 0.46
    formic acid 8.4
    diethyl ether 0.82
    m-xylene 0.54
    p-xylene 0.33
    chlorobenzene 0.84
    dimethyl carbonate 2.6
    n-octane 0.02
    formamide 8.85
    cyclopentanone 7.99
    2-pentanone 1.99
    anisole 1.46
    cyclopentyl methyl ether 2.05
    gamma-butyrolactone 7.13
    1-methoxy-2-propanol 7.63
    pyridine 5.07
    3-pentanone 1.41
    furfural 9.14
    n-dodecane 0.02
    diethylene glycol 8.5
    diisopropyl ether 0.19
    tert-amyl alcohol 0.32
    acetylacetone 5.34
    n-hexadecane 0.02
    acetophenone 1.9
    methyl propionate 1.7
    isopentyl acetate 0.69
    trichloroethylene 5.37
    n-nonanol 0.94
    cyclohexanol 0.6
    benzyl alcohol 2.03
    2-ethylhexanol 0.31
    isooctanol 0.76
    dipropyl ether 0.61
    1,2-dichlorobenzene 0.88
    ethyl lactate 1.17
    propylene carbonate 2.3
    n-methylformamide 7.17
    2-pentanol 0.32
    n-pentane 0.03
    1-propoxy-2-propanol 3.56
    1-methoxy-2-propyl acetate 2.71
    2-(2-methoxypropoxy) propanol 4.32
    mesitylene 0.31
    ε-caprolactone 3.38
    p-cymene 0.22
    epichlorohydrin 9.42
    1,1,1-trichloroethane 0.91
    2-aminoethanol 2.75
    morpholine-4-carbaldehyde 19.46
    sulfolane 13.47
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.87
    n-hexyl acetate 1.8
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.63
    sec-butyl acetate 0.42
    tert-butyl acetate 1.23
    decalin 0.03
    glycerin 4.99
    diglyme 15.15
    acrylic acid 2.83
    isopropyl myristate 0.5
    n-butyric acid 2.43
    acetyl acetate 1.82
    di(2-ethylhexyl) phthalate 1.08
    ethyl propionate 0.7
    nitromethane 14.21
    1,2-diethoxyethane 2.02
    benzonitrile 1.24
    trioctyl phosphate 0.7
    1-bromopropane 0.4
    gamma-valerolactone 24.45
    n-decanol 0.49
    triethyl phosphate 0.56
    4-methyl-2-pentanol 0.31
    propionitrile 0.74
    vinylene carbonate 3.67
    1,1,2-trichlorotrifluoroethane 13.67
    DMS 1.66
    cumene 0.21
    2-octanol 0.42
    2-hexanone 1.01
    octyl acetate 0.82
    limonene 0.23
    1,2-dimethoxyethane 8.86
    ethyl orthosilicate 0.57
    tributyl phosphate 0.54
    diacetone alcohol 2.96
    N,N-dimethylaniline 1.12
    acrylonitrile 1.66
    aniline 1.35
    1,3-propanediol 4.34
    bromobenzene 0.73
    dibromomethane 1.48
    1,1,2,2-tetrachloroethane 3.76
    2-methyl-cyclohexyl acetate 0.83
    tetrabutyl urea 0.99
    diisobutyl methanol 0.22
    2-phenylethanol 2.0
    styrene 0.35
    dioctyl adipate 1.11
    dimethyl sulfate 4.92
    ethyl butyrate 0.61
    methyl lactate 3.25
    butyl lactate 2.07
    diethyl carbonate 0.4
    propanediol butyl ether 5.33
    triethyl orthoformate 0.82
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 3.28
    morpholine 8.03
    tert-butylamine 0.16
    n-dodecanol 0.26
    dimethoxymethane 13.31
    ethylene carbonate 2.43
    cyrene 6.15
    2-ethoxyethyl acetate 4.14
    2-ethylhexyl acetate 0.45
    1,2,4-trichlorobenzene 1.38
    4-methylpyridine 2.49
    dibutyl ether 0.43
    2,6-dimethyl-4-heptanol 0.22
    DEF 2.97
    dimethyl isosorbide 6.64
    tetrachloroethylene 3.22
    eugenol 4.11
    triacetin 3.11
    span 80 3.88
    1,4-butanediol 1.34
    1,1-dichloroethane 0.87
    2-methyl-1-pentanol 0.44
    methyl formate 5.36
    2-methyl-1-butanol 0.47
    n-decane 0.04
    butyronitrile 0.65
    3,7-dimethyl-1-octanol 0.49
    1-chlorooctane 0.21
    1-chlorotetradecane 0.06
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 0.92
    tetrahydropyran 2.2
    tert-amyl methyl ether 0.37
    2,5,8-trioxanonane 9.2
    1-hexene 0.08
    2-isopropoxyethanol 3.13
    2,2,2-trifluoroethanol 3.37
    methyl butyrate 0.93

    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