Lanatoside C

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  • Identifiers

    CAS number
    17575-22-3

    Molecular formula
    C49H76O20

    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]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 63.84%
    Sweet 29.23%
    Milky 22.08%
    Vanilla 21.77%
    Cooling 21.3%
    Woody 21.03%
    Mint 19.37%
    Creamy 19.01%
    Spicy 17.56%
    Lactonic 16.84%

     

    Flavor
    Bitter 54.74%
    Fatty 47.62%
    Odorless 27.72%
    Sweet-like 27.4%
    Metallic 25.36%
    Bland 23.71%
    Cedarleaf 21.98%
    Sweet 21.86%
    Cauliflower 21.47%
    Alkaline 21.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    -4.84 (strong acid)

    Molecular weight
    985.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2260°C

    Flash point

    • 128.49 ˚C est.

  • Synonyms

    • lanatoside C
    • Isolanid
    • 17575-22-3
    • Cedilanid
    • Celadigal
    • Isolanide
    • Allocor
    • Cetosanol
    • Lanimerck
    • Lanatosido C
    • Lanatigen C
    • Celanidum
    • Digilanogen C
    • Lanatosidum C
    • DTXSID7023198
    • 5RR3JFZ771
    • Lanatoside c jp 17
    • NSC-7533
    • NSC-119991
    • DTXCID403198
    • RefChem:798429
    • C01AA06
    • 241-546-1
    • 3-((O beta-D-glucopyranosyl-(1-4)-O-3 beta-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12 beta,14-dihydroxy-5 beta-card-20(22)-enolide
    • ((2R,3R,4S,6S)-6-((2R,3S,4S,6S)-6-((2R,3S,4S,6R)-6-(((3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-yl)oxy)-4-hydroxy-2-methyloxan-3-yl)oxy-4-hydroxy-2-methyloxan-3-yl)oxy-2-methyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-4-yl) acetate
    • ((2R,3R,4S,6S)-6-((2R,3S,4S,6S)-6-((2R,3S,4S,6R)-6-(((3S,5S,8S,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-yl)oxy)-4-hydroxy-2-methyloxan-3-yl)oxy-4-hydroxy-2-methyloxan-3-yl)oxy-2-methyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-4-yl) acetate
    • Lanatosid C
    • Ceglunate
    • MFCD00869432
    • Celanid
    • Lanocide-C
    • Desacetyllanatoside
    • C49H76O20
    • Digilanid C
    • LANATOSIDE-C
    • Digoxin EP Impurity H
    • Lanatosid C [German]
    • Lanatosidum C [INN-Latin]
    • UNII-5RR3JFZ771
    • Lanatosido C [INN-Spanish]
    • Digoxin impurity H
    • NCGC00094932-01
    • EINECS 241-546-1
    • Digilanogen C (TN)
    • NSC 119991
    • Lanatoside C [INN:BAN:DCF:JAN:NF]
    • Lanatoside C (Standard)
    • Lanatoside C, >=95%
    • LANATOSIDE C [MI]
    • Lanatoside C (JAN/INN)
    • LANATOSIDE C [INN]
    • LANATOSIDE C [JAN]
    • SCHEMBL44110
    • LANATOSIDE C [MART.]
    • LANATOSIDE C [WHO-DD]
    • CHEMBL506569
    • orb1307821
    • HY-B1030R
    • BDBM430643
    • GLXC-10091
    • HMS3714C13
    • HY-B1030
    • LANATOSIDE C JP 17 [JAN]
    • Tox21_111361
    • s5554
    • AKOS030526106
    • CCG-220656
    • CS-4548
    • DB13467
    • EBC-157265
    • OL09899
    • DIGOXIN IMPURITY H [EP IMPURITY]
    • AS-35298
    • NS00025765
    • D01972
    • Q6482953
    • Z2681892181
    • Glycoside obtained from the leaves of Digitalis lanata Ehrh
    • (3|_,5|_,12|_)-3-[(O-|_-D-Glucopyranosyl-(1 inverted exclamation marku4)-O-3-O-acetyl-2,6-dideoxy-|_-D-ribo-hexopyranosyl-(1 inverted exclamation marku4)-O-2,6-dideoxy-|_-D-ribo-hexopyranosyl-(1 inverted exclamation marku4)-2,6-dideoxy-|_-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide
    • (3beta,5beta,12beta)-3-{[beta-D-glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
    • 3-((O beta-D-Glucopyranosyl-(1-4)-O-3beta-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12beta,14-dihydroxy-5beta-card-20(22)-enolide
    • 3.BETA.-((.BETA.-D-GLUCOPYRANOSYL-(1->4)-3-O-ACETYL-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-12.BETA.,14-DIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE
    • 3beta-{[beta-D-Glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12beta,14-dihydroxy-5beta-card-20(22)-enolide
    • Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1-4)-O-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-
    • 17575-22-3

  • Applications

    Lanatoside C (CAS 17575-22-3) is primarily used as an intermediate and analytical reference in pharmaceutical and synthetic chemistry of cardiac glycosides: it serves as a starting material in the semi-synthesis of digitalis glycosides and related cardiac glycosides, and as an analytical reference standard for LC-MS methods to quantify content and monitor impurities; it is used as a research reagent in pharmacology and natural product chemistry related to cardiac glycosides; and it may act as a starting material for isolation, structure elucidation, and study of related glycosides in natural product research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.15
    methanol 41.01
    isopropanol 1.64
    water 0.15
    ethyl acetate 4.6
    n-propanol 3.38
    acetone 14.4
    n-butanol 1.45
    acetonitrile 4.6
    DMF 94.99
    toluene 0.69
    isobutanol 1.12
    1,4-dioxane 21.82
    methyl acetate 6.19
    THF 42.04
    2-butanone 6.67
    n-pentanol 1.21
    sec-butanol 0.93
    n-hexane 0.02
    ethylene glycol 8.03
    NMP 86.48
    cyclohexane 0.04
    DMSO 148.74
    n-butyl acetate 1.75
    n-octanol 1.28
    chloroform 11.68
    n-propyl acetate 2.42
    acetic acid 75.31
    dichloromethane 12.46
    cyclohexanone 11.61
    propylene glycol 6.4
    isopropyl acetate 2.39
    DMAc 74.91
    2-ethoxyethanol 20.44
    isopentanol 0.78
    n-heptane 0.03
    ethyl formate 8.07
    1,2-dichloroethane 4.87
    n-hexanol 0.79
    2-methoxyethanol 45.33
    isobutyl acetate 1.19
    tetrachloromethane 0.92
    n-pentyl acetate 3.18
    transcutol 21.78
    n-heptanol 1.33
    ethylbenzene 0.31
    MIBK 2.03
    2-propoxyethanol 16.3
    tert-butanol 1.07
    MTBE 0.7
    2-butoxyethanol 11.37
    propionic acid 8.03
    o-xylene 0.43
    formic acid 68.06
    diethyl ether 1.38
    m-xylene 0.4
    p-xylene 0.44
    chlorobenzene 1.47
    dimethyl carbonate 11.85
    n-octane 0.02
    formamide 59.11
    cyclopentanone 27.2
    2-pentanone 4.21
    anisole 2.35
    cyclopentyl methyl ether 3.3
    gamma-butyrolactone 41.69
    1-methoxy-2-propanol 18.36
    pyridine 13.98
    3-pentanone 3.21
    furfural 47.45
    n-dodecane 0.02
    diethylene glycol 22.56
    diisopropyl ether 0.21
    tert-amyl alcohol 0.81
    acetylacetone 16.04
    n-hexadecane 0.02
    acetophenone 4.43
    methyl propionate 6.82
    isopentyl acetate 1.47
    trichloroethylene 17.53
    n-nonanol 1.37
    cyclohexanol 0.97
    benzyl alcohol 3.72
    2-ethylhexanol 0.4
    isooctanol 0.86
    dipropyl ether 0.84
    1,2-dichlorobenzene 1.7
    ethyl lactate 4.22
    propylene carbonate 13.72
    n-methylformamide 47.77
    2-pentanol 0.46
    n-pentane 0.02
    1-propoxy-2-propanol 6.47
    1-methoxy-2-propyl acetate 6.39
    2-(2-methoxypropoxy) propanol 7.99
    mesitylene 0.22
    ε-caprolactone 12.4
    p-cymene 0.23
    epichlorohydrin 36.8
    1,1,1-trichloroethane 2.31
    2-aminoethanol 11.32
    morpholine-4-carbaldehyde 85.64
    sulfolane 84.36
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 5.23
    n-hexyl acetate 3.41
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 11.93
    sec-butyl acetate 1.15
    tert-butyl acetate 2.23
    decalin 0.03
    glycerin 22.42
    diglyme 26.02
    acrylic acid 17.82
    isopropyl myristate 0.75
    n-butyric acid 8.21
    acetyl acetate 6.93
    di(2-ethylhexyl) phthalate 2.02
    ethyl propionate 2.23
    nitromethane 113.31
    1,2-diethoxyethane 3.63
    benzonitrile 3.28
    trioctyl phosphate 1.25
    1-bromopropane 0.77
    gamma-valerolactone 96.66
    n-decanol 0.73
    triethyl phosphate 1.37
    4-methyl-2-pentanol 0.33
    propionitrile 2.27
    vinylene carbonate 18.74
    1,1,2-trichlorotrifluoroethane 58.65
    DMS 4.45
    cumene 0.19
    2-octanol 0.62
    2-hexanone 2.33
    octyl acetate 1.58
    limonene 0.28
    1,2-dimethoxyethane 22.5
    ethyl orthosilicate 1.11
    tributyl phosphate 1.12
    diacetone alcohol 6.29
    N,N-dimethylaniline 1.67
    acrylonitrile 6.63
    aniline 2.05
    1,3-propanediol 10.94
    bromobenzene 1.21
    dibromomethane 3.78
    1,1,2,2-tetrachloroethane 10.6
    2-methyl-cyclohexyl acetate 1.71
    tetrabutyl urea 2.23
    diisobutyl methanol 0.23
    2-phenylethanol 2.92
    styrene 0.42
    dioctyl adipate 2.23
    dimethyl sulfate 28.34
    ethyl butyrate 1.69
    methyl lactate 13.71
    butyl lactate 4.52
    diethyl carbonate 1.24
    propanediol butyl ether 11.05
    triethyl orthoformate 1.78
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 5.94
    morpholine 23.22
    tert-butylamine 0.24
    n-dodecanol 0.39
    dimethoxymethane 36.19
    ethylene carbonate 10.99
    cyrene 18.99
    2-ethoxyethyl acetate 8.46
    2-ethylhexyl acetate 1.06
    1,2,4-trichlorobenzene 2.91
    4-methylpyridine 6.21
    dibutyl ether 0.63
    2,6-dimethyl-4-heptanol 0.23
    DEF 9.32
    dimethyl isosorbide 15.26
    tetrachloroethylene 7.22
    eugenol 6.92
    triacetin 8.02
    span 80 7.48
    1,4-butanediol 4.38
    1,1-dichloroethane 2.34
    2-methyl-1-pentanol 0.72
    methyl formate 39.52
    2-methyl-1-butanol 0.75
    n-decane 0.04
    butyronitrile 1.49
    3,7-dimethyl-1-octanol 0.62
    1-chlorooctane 0.29
    1-chlorotetradecane 0.08
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 2.33
    tetrahydropyran 4.24
    tert-amyl methyl ether 0.66
    2,5,8-trioxanonane 16.1
    1-hexene 0.1
    2-isopropoxyethanol 7.34
    2,2,2-trifluoroethanol 25.3
    methyl butyrate 3.26

    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