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Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)[C@H](O)C[C@H]2[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=VHSJFGGMDJZDRY-HRSRVJDHSA-N

Formula

C21H34O3

Mass

334.5

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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

Isocopalane and spongiane diterpenoids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Isocopalane diterpenoid - 12-hydroxysteroid - Hydroxysteroid - 12-beta-hydroxysteroid - Steroid - Hydrophenanthrene - Phenanthrene - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as isocopalane and spongiane diterpenoids. These are diterpenoids with a structure based on the isocopalane (Tetradecahydro-1,1,4a,7,8,8a-hexamethylphenanthrene) or the 15,16-epoxyisocopalane skeleton.

External Descriptors

Not available

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