Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C(C)C(=O)C[C@]3(C)CC[C@]12C(O)=O

InChIKey

InChIKey=GJCBFSOLWIBJCP-FQUQYDMUSA-N

Formula

C20H28O4

Mass

332.44

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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

Valparane and mulinane diterpenoids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Valparane or mulinane diterpenoid - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as valparane and mulinane diterpenoids. These are diterpenoids with a structure based on either the valparane or mulinane skeleton. Valparane and mulinane are tricyclic compounds containing a tetradecahydrocyclohepta[e]indene skeleton. Valparane carries a 1-methylethyl at the 3-position, as well as three methyl groups at the 5a-, 8-, and 10b-position of the ring system. Mulinane carries a 1-methylethyl at the 3-position, as well as three methyl groups at the 3a-, 5a-, and 8-position of the ring system.

External Descriptors

Not available

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