Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2[C@@](C)(CO)[C@]12OC(C)=O

InChIKey

InChIKey=DYHBGVHTKOPQDM-SGPTVBMASA-N

Formula

C38H60O9

Mass

660.889

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Tigliane and ingenane diterpenoids

Direct Parent

Phorbol esters

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Phorbol ester - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Primary alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as phorbol esters. These are tigliane diterpenoids which are esters of phorbol.

External Descriptors

CHEBI:744 : phorbol ester
KEGG (C09153) : Tiglianes

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