MUSCAROSIDE B
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Name
MUSCAROSIDE B
IUPAC name
(3S,3'R,4S,5'S,10S,13S,14S,17S)-3-(((2R,3R,4S,5S,6S)-6-((((2R,3S,4S,5R)-3-(((2S,3R,4S,5R,6R)-4-(((2S,3R,4R,5S,6S)-4-(((3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-3-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)-3-hydroxy-4,5-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propionyl-1,2,3,4,4',5,5',6,7,10,11,12,13,14-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-15(16H)-one
SMILES
C1[C@]8(C([C@@]([C@H](C1)O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](CO[C@@H]2[C@H]([C@H]([C@@H](CO2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@H](C)O4)O)OC5[C@H]([C@@H]([C@@H](CO)O5)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@@H](C)O6)O)O)O)O7)C)C)O)(C)CO)CCC9=C8CC[C@]%10([C@]9(C(C[C@]%10%11[C@H](C)C[C@@H](C(CC)=O)O%11)=O)C)C)C
Molecular formula
C65H104O29
Molecular weight
1,349.52 g/mol
Monoisotopic mass
1,348.6663 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Muscari comosum (L.) Mill. | bulb | - |
Adinolfi, M., Barone, G., Lanzetta, R., Laonigro, G., Parrilli, M., Mangoni, L. (1983). Structure of a glycoside extracted from Muscari comosum bulbs. Rend Accad Sci Fis Mat Naples, 50(2), 293-294
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