Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(=C)C(=O)C[C@@]1(C)[C@H](C)[C@@H](O)[C@H](OC(=O)\C=C\C2=CC=CC=C2)[C@]2(C)[C@@H]1CCC=C2C

InChIKey

InChIKey=GNIIZEDYOFXUJV-GBOSTOGDSA-N

Formula

C30H38O6

Mass

494.628

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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 homopolycyclic compounds

Substituents

Clerodane diterpenoid - Cinnamic acid or derivatives - Cinnamic acid ester - Gamma-keto acid - Styrene - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Keto acid - Acryloyl-group - Cyclic alcohol - Enone - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Ketone - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aromatic homopolycyclic 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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