CUCURBITACIN I 2-O-BETA-D-GLUCOSIDE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6441519
Name
CUCURBITACIN I 2-O-BETA-D-GLUCOSIDE
IUPAC name
(8S,9R,10R,13R,14S,16R,17R)-17-((R,E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-16-hydroxy-4,4,9,13,14-pentamethyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,8,9,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-3,11(4H)-dione
SMILES
CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Molecular formula
C36H52O12
Molecular weight
676.80 g/mol
Monoisotopic mass
676.3459 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Bryonia dioica Jacq. | root | - |
Ripperger, H. (1976). Isolation and structure of cucurbitacins from Bryonia dioica. Tetrahedron, 32, 1567 doi:10.1002/chin.197646317
|