Structure Information
Structure

Compound Identification

SMILES

CC(C)=O.C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O.CCCCCCCCCCCCCC(=O)OCC1(C)[C@H]2[C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]3(O)[C@H](C)[C@@H](O)[C@@]12OC(C)=O

InChIKey

InChIKey=HGFZWDPDQOTAKR-MKGGFZRYSA-N

Formula

C59H90O12

Mass

991.357

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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

Not available

Substituents

Phorbol ester - Retinoic acid - Retinoid skeleton - Medium-chain fatty acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acid ester - Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Carboxylic acid derivative - Carboxylic acid - Polyol - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Primary alcohol - Organic oxygen compound - Organooxygen compound - 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

Not available

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