Structure Information
Structure

Compound Identification

SMILES

[H]\C(CCC)=C(/[H])C(=O)O[C@]1([H])CCC2=CC(=O)[C@@]([H])(C[C@]2(C)[C@@]1([H])C)C(C)=C

InChIKey

InChIKey=OKQAGXZCICAILY-RMFMVGMNSA-N

Formula

C21H30O3

Mass

330.468

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Eremophilane sesquiterpenoid - Fatty acid ester - Cyclohexenone - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.

External Descriptors

Not available

Previous Back Next