PHORBOL,12-DEOXY: 13-PHENYL-ACETATE-20-ACETATE

Structure

2D structure of PHORBOL,12-DEOXY: 13-PHENYL-ACETATE-20-ACETATE
2D structure
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3D model

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

Names and identifiers

Name

PHORBOL,12-DEOXY: 13-PHENYL-ACETATE-20-ACETATE

IUPAC name

(1aR,1bS,4aS,7aS,7bS,8R,9aS)-3-(acetoxymethyl)-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl 2-phenylacetate

SMILES

C[C@@H]2C[C@@]1([C@@H](C1(C)C)[C@H]4[C@@]2([C@@H]3C=C(C(=O)[C@@]3(CC(=C4)COC(C)=O)O)C)O)OC(=O)CC5=CC=CC=C5

General information

Molecular formula

C30H36O7

Molecular weight

508.61 g/mol

Monoisotopic mass

508.2461 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Euphorbia helioscopia L. subsp. helioscopia aerial parts -
Schmidt, R.J., Evans, F.J. (1980). Skin irritants of the sun spurge (Euphorbia helioscopia L.). Contact Dermatitis, 6, 204-210 doi:10.1111/j.1600-0536.1980.tb05599.x