INGENOL-5-O-ANGELATE,20-DEOXY

Structure

2D structure of INGENOL-5-O-ANGELATE,20-DEOXY
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 163059080

Names and identifiers

Name

INGENOL-5-O-ANGELATE,20-DEOXY

IUPAC name

(1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5a,6-dihydroxy-1,1,4,7,9-pentamethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-5-yl (Z)-2-methylbut-2-enoate

SMILES

C[C@@H]2C[C@@H]1[C@@H](C1(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]2(C3=O)C=C([C@@H]4O)C)O)OC(\C(=C(/C)[H])C)=O)C

General information

Molecular formula

C25H34O5

Molecular weight

414.54 g/mol

Monoisotopic mass

414.2406 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Euphorbia peplus L. - -
Hohmann, J., Evanics, F., Berta, L., Bartok, T. (2000). Diterpenoids from Euphorbia peplus. Planta Med, 66(3), 291-294 doi:10.1055/s-2000-8568