Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C#C)[C@H](O)C[C@H]2[C@H]1[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C

InChIKey

InChIKey=XEVVUKFJYJTXHU-VPJDZFQPSA-N

Formula

C21H30O4

Mass

346.467

Export to:

JSON SDF CSV

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 - 7-beta-hydroxysteroid - 7-hydroxysteroid - 12-beta-hydroxysteroid - Steroid - Hydrophenanthrene - Phenanthrene - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Enoate ester - Methyl ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetylide - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - 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

Previous Back Next