Structure Information
Structure

Compound Identification

SMILES

[H]\C(C)=C(/C)C(=O)C[C@]1([H])C[C@]([H])(C)[C@@]2(C)CC3=C(OC=C3C)[C@]([H])(O)[C@@]2([H])C1

InChIKey

InChIKey=JPCWILYMYBDXDZ-RZAWNBQTSA-N

Formula

C21H30O3

Mass

330.468

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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

Aromatic heteropolycyclic compounds

Substituents

Furoeremophilane sesquiterpenoid - Naphthofuran - Benzofuran - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Heteroaromatic compound - Furan - Alpha,beta-unsaturated ketone - Ketone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - Aromatic heteropolycyclic 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

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