Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C[C@]2(OC(=O)CC3=CC=CC=C3)[C@H]([C@@H]3C=C(COC(C)=O)C[C@@]4(O)C(C=C(C)C4=O)[C@@]13O)C2(C)C

InChIKey

InChIKey=MEDVHSNRBPAIPU-OCCWHXBISA-N

Formula

C30H36O7

Mass

508.611

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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

Aromatic homopolycyclic compounds

Substituents

Phorbol ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aromatic 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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