CUCURBITACIN I,ISO: TETRAHYDRO
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 123674862
Name
CUCURBITACIN I,ISO: TETRAHYDRO
IUPAC name
(8S,9R,10R,13R,14S,16R,17R)-17-((R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,4,7,8,9,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,11-dione
SMILES
C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC(C(O)C4(C)C)=O)C)C)[C@](C)(C(=O)CCC(C)(C)O)O)O
Molecular formula
C30H46O7
Molecular weight
518.69 g/mol
Monoisotopic mass
518.3244 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Bryonia dioica Jacq. | root | - |
Cattel, L., Caputo, O., Delprino, L., Biglino, G. (1978). Ring a stereochemistry of tetrahydrocucurbitacin 1 and structure of tetrahydroisocucurbitacin 1. Gazz Chim Ital, 108, 1-5
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