Structure Information
Structure

Compound Identification

SMILES

[H]\C(C[C@]1(C)[C@@]([H])(C)C[C@]([H])(OC(=O)C2=CC=CC=C2)[C@]23C(=C[C@@]([H])(O)C[C@]12[H])[C@@]([H])(OC(C)=O)O[C@]3([H])OC(C)=O)=C(\C)C=C

InChIKey

InChIKey=VGCCUPIWJIILLU-HACPLIHYSA-N

Formula

C31H38O8

Mass

538.637

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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

Not available

Direct Parent

Colensane and clerodane diterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Clerodane diterpenoid - Naphthofuran - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.

External Descriptors

Not available

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