CALENDULOSIDE C
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 71587192
Name
CALENDULOSIDE C
IUPAC name
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
Molecular formula
C48H78O18
Molecular weight
943.13 g/mol
Monoisotopic mass
942.5188 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Calendula arvensis (Vaill.) L. | aerial parts | - |
Vidal-ollivier, E., Babadjamian, A., Faure, R., Chemli, R., Boukef, K., Balansard, G., Vincent, E.J. (1989). Two-dimensional nmr studies of triterpenoid glycosides. ii. 1-h nmr assignment of arvensoside a and b, calenduloside c and D. Spectroscopy Lett, 22(5), 579-584 doi:10.1080/00387018908053907
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