INGENOL-5-20-DIACETATE-3-ANGELATE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 162912364
Name
INGENOL-5-20-DIACETATE-3-ANGELATE
IUPAC name
(1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5-acetoxy-4-(acetoxymethyl)-5a-hydroxy-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl (Z)-2-methylbut-2-enoate
SMILES
C(=C(\C)C(=O)O[C@H]1C(=C[C@@]24[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]3[C@H](C3(C)C)C[C@H]4C)COC(C)=O)OC(C)=O)O)C)(/C)[H]
Molecular formula
C29H38O8
Molecular weight
514.62 g/mol
Monoisotopic mass
514.2567 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Euphorbia peplus L. | aerial parts | - |
Zayed, S.M.A.D., Farghaly, M., Taha, H., Gotta, H., Hecker, E. (1998). Dietary cancer risk conditional cancerogens in produce of livestock fed on species of spurge (Euphorbiaceae). I. skin irritant and tumor-promoting ingenane-type diterpene ester in E. peplus, one of several herbaceous Euphorbia species contaminating J Cancer Res Clin Oncol, 124(3/4), 131-140
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