INGENOL-20-O-OCTANOATE

Structure

2D structure of INGENOL-20-O-OCTANOATE
2D structure
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3D model

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

Names and identifiers

Name

INGENOL-20-O-OCTANOATE

IUPAC name

((1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-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-4-yl)methyl octanoate

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)O)COC(CCCCCCC)=O

General information

Molecular formula

C28H42O6

Molecular weight

474.64 g/mol

Monoisotopic mass

474.2981 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. - -
Rizk, A.M., Hammouda, F.M., El-missiry, M.M., Radwan, H.M., Evans, F.J. (1985). Biologically active diterpene esters from Euphorbia peplus. Phytochemistry, 24(7), 1605-1606 doi:10.1016/s0031-9422(00)81076-6