k-Strophanthoside

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  • Identifiers

    CAS number
    33279-57-1

    Molecular formula
    C42H64O19

    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)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 63.57%
    Sweet 30.7%
    Woody 24.08%
    Cooling 21.63%
    Spicy 21.46%
    Vanilla 19.59%
    Milky 19.49%
    Mint 18.58%
    Savory 16.56%
    Warm 16.04%

     

    Flavor
    Bitter 63.66%
    Fatty 43.9%
    Sweet-like 27.51%
    Odorless 27.31%
    Bland 23.83%
    Metallic 23.77%
    Cedarleaf 21.6%
    Cauliflower 21.53%
    Sweet 21.25%
    Alkaline 21.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.9

    pKa est.
    3.39 (weak acid)

    Molecular weight
    872.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    3531°C

    Flash point

    • 248.41 ˚C est.

  • Synonyms

    • k-Strophanthoside
    • 33279-57-1
    • 8141H9654J
    • DTXSID60954919
    • NSC-7530
    • (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-((2R,4S,5R,6R)-4-methoxy-6-methyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-10-carbaldehyde
    • (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
    • RefChem:792612
    • DTXCID201478286
    • 251-439-1
    • (3S,5S,8R,9S,10S,13R,14S,17R)-3-((2R,4S,5R,6R)-5-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-10-carbaldehyde
    • CHEMBL538442
    • k-Strophantosid
    • k-Strofantozyd
    • k-Strophantoside
    • k-Strophanthin-gamma
    • Card-20(22)-enolide, 3-[(O-beta-D-glucopyranosyl-(1-->6)-O-beta-D-glucopyranosyl-(1-->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3beta,5beta)-
    • k-Strophanthidin-gamma
    • k-Strofantozyd [Polish]
    • k-Strophantosid [German]
    • NSC7530
    • UNII-8141H9654J
    • NSC 7530
    • EINECS 251-439-1
    • orb1682280
    • SCHEMBL3866065
    • NIOSH/WL1200000
    • Strophanthidin + cymarose + beta-glucose + alpha-glucose
    • GILGYKHFZXQALF-FBPIOBPTSA-N
    • HY-N8735
    • BDBM50480588
    • Strophanthidin + cymarose + beta-glucose + alpha-glucose [German]
    • AKOS040761932
    • CS-0148987
    • NS00093781
    • WL12000000
    • k-Strophantoside (Strophanthidin-Cym-Glc-Glc)
    • (3beta,5beta)-3-((O-beta-D-glucopyranosyl-(1.6)-O-beta-D-glucopyranosyl-(1.4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
    • 3-{[hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2,6-dideoxy-3-o-methylhexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide
    • 3beta-{[beta-D-Glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide
    • 5,14-dihydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
    • 5-beta-Card-20(22)-enolide, 3-beta-((O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
    • CARD-20(22)-ENOLIDE, 3-((O-.BETA.-D-GLUCOPYRANOSYL-(1->6)-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-2,6-DIDEOXY-3-O-METHYL-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-5,14-DIHYDROXY-19-OXO-, (3.BETA.,5.BETA.)-
    • Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-
    • 33279-57-1

  • Applications

    K-Strophanthoside (CAS 33279-57-1) is a cardiac glycoside derived from Strophanthus, primarily regarded as a chemical intermediate for the synthesis of other cardiac glycosides in pharmaceutical and research contexts. In industrial and research settings, typical applications include: serving as a precursor for cardiac glycoside derivatives; acting as a reference standard for analytical method development (HPLC/GC-MS) and quality control of samples; being used in biochemical studies to probe Na+/K+-ATPase inhibition and the properties of cardiac glycosides; and having educational/historical relevance as a natural toxin that was formerly used as an arrow poison. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.18
    methanol 23.93
    isopropanol 0.31
    water 0.31
    ethyl acetate 1.5
    n-propanol 0.72
    acetone 2.81
    n-butanol 0.38
    acetonitrile 1.34
    DMF 46.2
    toluene 0.4
    isobutanol 0.24
    1,4-dioxane 6.85
    methyl acetate 2.12
    THF 8.46
    2-butanone 1.6
    n-pentanol 0.25
    sec-butanol 0.22
    n-hexane 0.01
    ethylene glycol 5.83
    NMP 42.43
    cyclohexane 0.02
    DMSO 39.42
    n-butyl acetate 0.42
    n-octanol 0.39
    chloroform 3.2
    n-propyl acetate 0.56
    acetic acid 25.01
    dichloromethane 3.84
    cyclohexanone 2.85
    propylene glycol 3.06
    isopropyl acetate 0.78
    DMAc 29.33
    2-ethoxyethanol 5.45
    isopentanol 0.19
    n-heptane 0.02
    ethyl formate 2.31
    1,2-dichloroethane 1.3
    n-hexanol 0.2
    2-methoxyethanol 20.0
    isobutyl acetate 0.26
    tetrachloromethane 0.28
    n-pentyl acetate 1.03
    transcutol 10.91
    n-heptanol 0.43
    ethylbenzene 0.13
    MIBK 0.57
    2-propoxyethanol 5.05
    tert-butanol 0.2
    MTBE 0.18
    2-butoxyethanol 4.1
    propionic acid 2.77
    o-xylene 0.25
    formic acid 71.37
    diethyl ether 0.47
    m-xylene 0.24
    p-xylene 0.14
    chlorobenzene 0.55
    dimethyl carbonate 7.49
    n-octane 0.01
    formamide 45.01
    cyclopentanone 7.18
    2-pentanone 1.16
    anisole 0.86
    cyclopentyl methyl ether 1.5
    gamma-butyrolactone 13.61
    1-methoxy-2-propanol 7.05
    pyridine 4.56
    3-pentanone 1.1
    furfural 23.01
    n-dodecane 0.01
    diethylene glycol 10.28
    diisopropyl ether 0.08
    tert-amyl alcohol 0.17
    acetylacetone 5.78
    n-hexadecane 0.01
    acetophenone 1.53
    methyl propionate 2.98
    isopentyl acetate 0.31
    trichloroethylene 5.85
    n-nonanol 0.41
    cyclohexanol 0.31
    benzyl alcohol 1.25
    2-ethylhexanol 0.11
    isooctanol 0.26
    dipropyl ether 0.34
    1,2-dichlorobenzene 0.71
    ethyl lactate 1.61
    propylene carbonate 4.71
    n-methylformamide 22.72
    2-pentanol 0.15
    n-pentane 0.01
    1-propoxy-2-propanol 2.19
    1-methoxy-2-propyl acetate 2.48
    2-(2-methoxypropoxy) propanol 2.99
    mesitylene 0.12
    ε-caprolactone 3.46
    p-cymene 0.1
    epichlorohydrin 10.62
    1,1,1-trichloroethane 0.56
    2-aminoethanol 4.54
    morpholine-4-carbaldehyde 45.07
    sulfolane 30.75
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.29
    n-hexyl acetate 1.02
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.63
    sec-butyl acetate 0.29
    tert-butyl acetate 0.7
    decalin 0.01
    glycerin 16.35
    diglyme 11.42
    acrylic acid 8.53
    isopropyl myristate 0.23
    n-butyric acid 2.25
    acetyl acetate 2.58
    di(2-ethylhexyl) phthalate 0.62
    ethyl propionate 0.74
    nitromethane 47.51
    1,2-diethoxyethane 1.23
    benzonitrile 0.99
    trioctyl phosphate 0.39
    1-bromopropane 0.24
    gamma-valerolactone 31.14
    n-decanol 0.22
    triethyl phosphate 0.45
    4-methyl-2-pentanol 0.09
    propionitrile 0.68
    vinylene carbonate 7.83
    1,1,2-trichlorotrifluoroethane 28.7
    DMS 2.09
    cumene 0.07
    2-octanol 0.21
    2-hexanone 0.48
    octyl acetate 0.49
    limonene 0.12
    1,2-dimethoxyethane 6.02
    ethyl orthosilicate 0.37
    tributyl phosphate 0.34
    diacetone alcohol 2.09
    N,N-dimethylaniline 0.69
    acrylonitrile 2.54
    aniline 0.93
    1,3-propanediol 3.55
    bromobenzene 0.47
    dibromomethane 1.07
    1,1,2,2-tetrachloroethane 3.19
    2-methyl-cyclohexyl acetate 0.42
    tetrabutyl urea 0.68
    diisobutyl methanol 0.07
    2-phenylethanol 0.88
    styrene 0.18
    dioctyl adipate 0.67
    dimethyl sulfate 19.27
    ethyl butyrate 0.5
    methyl lactate 8.8
    butyl lactate 1.68
    diethyl carbonate 0.38
    propanediol butyl ether 4.51
    triethyl orthoformate 0.58
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 2.65
    morpholine 6.51
    tert-butylamine 0.05
    n-dodecanol 0.13
    dimethoxymethane 19.42
    ethylene carbonate 3.71
    cyrene 7.79
    2-ethoxyethyl acetate 3.55
    2-ethylhexyl acetate 0.25
    1,2,4-trichlorobenzene 1.11
    4-methylpyridine 2.23
    dibutyl ether 0.21
    2,6-dimethyl-4-heptanol 0.07
    DEF 3.83
    dimethyl isosorbide 6.15
    tetrachloroethylene 2.57
    eugenol 3.07
    triacetin 3.62
    span 80 2.94
    1,4-butanediol 1.16
    1,1-dichloroethane 0.57
    2-methyl-1-pentanol 0.14
    methyl formate 21.94
    2-methyl-1-butanol 0.2
    n-decane 0.02
    butyronitrile 0.42
    3,7-dimethyl-1-octanol 0.18
    1-chlorooctane 0.11
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.62
    tetrahydropyran 1.1
    tert-amyl methyl ether 0.22
    2,5,8-trioxanonane 7.01
    1-hexene 0.03
    2-isopropoxyethanol 1.85
    2,2,2-trifluoroethanol 12.65
    methyl butyrate 0.95

    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