corchorusoside C

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  • Identifiers

    CAS number
    210637-17-5

    Molecular formula
    C35H54O13

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.95%
    Sweet 33.74%
    Woody 32.09%
    Spicy 27.88%
    Cooling 23.35%
    Mint 22.3%
    Balsamic 20.49%
    Vanilla 20.35%
    Milky 18.97%
    Warm 18.44%

     

    Flavor
    Bitter 59.2%
    Fatty 46.32%
    Sweet-like 26.29%
    Metallic 24.5%
    Odorless 24.16%
    Bland 22.31%
    Cedarleaf 22.21%
    Cauliflower 21.36%
    Alkaline 21.04%
    Beet 20.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    4.61 (weak acid)

    Molecular weight
    682.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1627°C

    Flash point

    • 276.34 ˚C est.

  • Synonyms

    • corchorusoside C
    • CHEMBL4443808
    • SCHEMBL165627
    • CHEBI:187102
    • DTXSID701109080
    • BDBM50508913
    • 210637-17-5
    • (3I(2),5I(2))-3-[(2,6-Dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide
    • 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
    • 210637-17-5

  • Applications

    Corchorusoside C (CAS 210637-17-5) is a natural cardenolide glycoside. In pharmaceutical and natural-products research, it may be used as a lead compound and a scaffold for the development of cardenolide derivatives in drug-discovery programs. It can serve as a substrate or model compound in biochemical studies of Na+/K+-ATPase inhibition and related glycoside biotransformations. In analytical laboratories, it provides an analytical reference for the identification and quality control of Corchorus species extracts. It may also be evaluated in toxicology and safety assessments of botanical materials, and used as a synthetic intermediate in natural-product libraries to explore structure–activity relationships.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.82
    methanol 29.35
    isopropanol 0.42
    water 0.22
    ethyl acetate 2.06
    n-propanol 0.99
    acetone 5.04
    n-butanol 0.48
    acetonitrile 1.85
    DMF 61.96
    toluene 0.52
    isobutanol 0.32
    1,4-dioxane 12.57
    methyl acetate 2.57
    THF 19.02
    2-butanone 2.28
    n-pentanol 0.36
    sec-butanol 0.25
    n-hexane 0.01
    ethylene glycol 5.93
    NMP 46.17
    cyclohexane 0.03
    DMSO 58.45
    n-butyl acetate 0.6
    n-octanol 0.58
    chloroform 4.45
    n-propyl acetate 0.9
    acetic acid 35.73
    dichloromethane 5.05
    cyclohexanone 4.18
    propylene glycol 3.37
    isopropyl acetate 1.15
    DMAc 37.52
    2-ethoxyethanol 9.42
    isopentanol 0.26
    n-heptane 0.02
    ethyl formate 3.06
    1,2-dichloroethane 1.72
    n-hexanol 0.29
    2-methoxyethanol 30.44
    isobutyl acetate 0.41
    tetrachloromethane 0.37
    n-pentyl acetate 1.48
    transcutol 17.71
    n-heptanol 0.59
    ethylbenzene 0.19
    MIBK 0.94
    2-propoxyethanol 8.4
    tert-butanol 0.28
    MTBE 0.26
    2-butoxyethanol 5.82
    propionic acid 3.04
    o-xylene 0.31
    formic acid 71.82
    diethyl ether 0.67
    m-xylene 0.33
    p-xylene 0.21
    chlorobenzene 0.76
    dimethyl carbonate 8.61
    n-octane 0.02
    formamide 48.84
    cyclopentanone 11.34
    2-pentanone 1.75
    anisole 1.53
    cyclopentyl methyl ether 2.17
    gamma-butyrolactone 19.22
    1-methoxy-2-propanol 10.2
    pyridine 6.76
    3-pentanone 1.53
    furfural 29.0
    n-dodecane 0.01
    diethylene glycol 15.03
    diisopropyl ether 0.11
    tert-amyl alcohol 0.22
    acetylacetone 9.3
    n-hexadecane 0.01
    acetophenone 2.41
    methyl propionate 3.67
    isopentyl acetate 0.46
    trichloroethylene 7.96
    n-nonanol 0.61
    cyclohexanol 0.38
    benzyl alcohol 1.88
    2-ethylhexanol 0.15
    isooctanol 0.37
    dipropyl ether 0.49
    1,2-dichlorobenzene 0.93
    ethyl lactate 2.15
    propylene carbonate 6.0
    n-methylformamide 27.98
    2-pentanol 0.18
    n-pentane 0.01
    1-propoxy-2-propanol 3.23
    1-methoxy-2-propyl acetate 3.55
    2-(2-methoxypropoxy) propanol 4.4
    mesitylene 0.17
    ε-caprolactone 4.76
    p-cymene 0.13
    epichlorohydrin 17.75
    1,1,1-trichloroethane 0.81
    2-aminoethanol 5.54
    morpholine-4-carbaldehyde 58.37
    sulfolane 42.07
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.15
    n-hexyl acetate 1.57
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.34
    sec-butyl acetate 0.42
    tert-butyl acetate 1.15
    decalin 0.02
    glycerin 17.56
    diglyme 17.85
    acrylic acid 9.1
    isopropyl myristate 0.36
    n-butyric acid 2.91
    acetyl acetate 3.71
    di(2-ethylhexyl) phthalate 0.92
    ethyl propionate 1.05
    nitromethane 67.45
    1,2-diethoxyethane 1.99
    benzonitrile 1.41
    trioctyl phosphate 0.55
    1-bromopropane 0.3
    gamma-valerolactone 49.15
    n-decanol 0.32
    triethyl phosphate 0.58
    4-methyl-2-pentanol 0.13
    propionitrile 0.82
    vinylene carbonate 9.6
    1,1,2-trichlorotrifluoroethane 37.52
    DMS 2.67
    cumene 0.11
    2-octanol 0.27
    2-hexanone 0.76
    octyl acetate 0.73
    limonene 0.15
    1,2-dimethoxyethane 10.54
    ethyl orthosilicate 0.48
    tributyl phosphate 0.48
    diacetone alcohol 3.16
    N,N-dimethylaniline 1.1
    acrylonitrile 2.99
    aniline 1.19
    1,3-propanediol 4.59
    bromobenzene 0.67
    dibromomethane 1.42
    1,1,2,2-tetrachloroethane 4.27
    2-methyl-cyclohexyl acetate 0.62
    tetrabutyl urea 0.99
    diisobutyl methanol 0.1
    2-phenylethanol 1.32
    styrene 0.26
    dioctyl adipate 1.07
    dimethyl sulfate 21.58
    ethyl butyrate 0.7
    methyl lactate 9.47
    butyl lactate 2.18
    diethyl carbonate 0.49
    propanediol butyl ether 6.3
    triethyl orthoformate 0.79
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 3.8
    morpholine 11.3
    tert-butylamine 0.07
    n-dodecanol 0.18
    dimethoxymethane 30.43
    ethylene carbonate 4.72
    cyrene 10.98
    2-ethoxyethyl acetate 5.05
    2-ethylhexyl acetate 0.36
    1,2,4-trichlorobenzene 1.4
    4-methylpyridine 3.08
    dibutyl ether 0.31
    2,6-dimethyl-4-heptanol 0.1
    DEF 4.94
    dimethyl isosorbide 8.92
    tetrachloroethylene 3.36
    eugenol 4.32
    triacetin 5.15
    span 80 4.08
    1,4-butanediol 1.54
    1,1-dichloroethane 0.78
    2-methyl-1-pentanol 0.2
    methyl formate 27.71
    2-methyl-1-butanol 0.25
    n-decane 0.03
    butyronitrile 0.55
    3,7-dimethyl-1-octanol 0.28
    1-chlorooctane 0.15
    1-chlorotetradecane 0.04
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.85
    tetrahydropyran 1.96
    tert-amyl methyl ether 0.28
    2,5,8-trioxanonane 11.05
    1-hexene 0.04
    2-isopropoxyethanol 2.98
    2,2,2-trifluoroethanol 14.68
    methyl butyrate 1.31

    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