Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCC1(CCCC(=O)OC2C(C)C3(O)C4C=C(C)C(=O)C4(O)CC(CO)=CC3C3C(C)(C)C23OC(C)=O)OCC(C)(C)N1[O]

InChIKey

InChIKey=ZCIOBJHSFRJWBX-UHFFFAOYSA-N

Formula

C42H66NO10

Mass

744.987

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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 heteropolycyclic compounds

Substituents

Phorbol ester - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Tertiary alcohol - Oxazolidine - Cyclic alcohol - Ketone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic 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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