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

Structure

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

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 198352

Names and identifiers

Name

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

IUPAC name

(1aR,1bS,4aR,7aS,7bR,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 (2E,4E)-dodeca-2,4-dienoate

SMILES

O([C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)COC(C)=O)O)C)C(C=CC=CCCCCCCC)=O

General information

Molecular formula

C34H48O7

Molecular weight

568.75 g/mol

Monoisotopic mass

568.3400 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
Euphorbia helioscopia L. subsp. helioscopia exudate -
Evans, F.J., Kinghorn, A.D., Schmidt, R.J. (1975). Some naturally occurring skin irritants. Acta Pharmacol Toxicol, 37, 250-256 doi:10.1111/j.1600-0773.1975.tb00842.x