Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]1(C)CCC[C@@]2(C=O)[C@@H](CCC3=COC=C3)C(=C)CC[C@@H]12

InChIKey

InChIKey=UTDNDXVCPKGENL-FMWKFLBASA-N

Formula

C21H28O4

Mass

344.451

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

Colensane and clerodane diterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Clerodane diterpenoid - Heteroaromatic compound - Methyl ester - Furan - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic heteropolycyclic 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

Previous Back Next