Structure Information
Structure

Compound Identification

SMILES

CC(=O)[C@@]1(C)CCC2[C@@](C)(CC[C@@]3(C)C4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1CC(O)=O

InChIKey

InChIKey=PBRRQRYVRNSVBF-VLTYVTDFSA-N

Formula

C29H48O3

Mass

444.7

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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

Aliphatic homopolycyclic compounds

Substituents

Clerodane diterpenoid - 18-oxosteroid - Hydroxysteroid - 16-oxosteroid - 17-oxosteroid - Oxosteroid - 16-hydroxysteroid - Steroid - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic 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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