CUCURBITACIN S
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 119287
Name
CUCURBITACIN S
IUPAC name
(6aR,6bR,8aR,8bR,9S,12S,13aR,14aS,14bS)-5-hydroxy-12-(2-hydroxypropan-2-yl)-3,3,6b,8a,9,14a-hexamethyl-6a,6b,8,8a,8b,9,11,12,13a,14,14a,14b-dodecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]oxepine-4,7,10(3H)-trione
SMILES
C[C@H]1[C@H]2[C@@H](C[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4C=C(C(=O)C5(C)C)O)C)C)C)O[C@@H](CC1=O)C(C)(C)O
Molecular formula
C30H42O6
Molecular weight
498.66 g/mol
Monoisotopic mass
498.2981 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Bryonia dioica Jacq. | root | - |
Hylands, P.J., Mansour, E.S.S. (1982). A revision of the structure of cucurbitacins from Bryonia dioica. Phytochemistry, 21, 2703-2707 doi:10.1016/0031-9422(82)83102-6
|
| Bryonia dioica Jacq. | root | - |
Hylands, P.J., Salama, A.M. (1976). Cucurbitacin s, a new cucurbitacin from Bryonia dioica. Phytochemistry, 15, 559-560 doi:10.1016/s0031-9422(00)88975-x
|