Structure Information
Structure

Compound Identification

SMILES

CC(C)C(=O)OC1C2=C(OC=C2C)C(=O)C2[C@@H](O)CC[C@H](C)[C@@]12C

InChIKey

InChIKey=AXTBBOHGQOEWMH-UPTIQHFUSA-N

Formula

C19H26O5

Mass

334.412

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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 - Fatty alcohol ester - Benzofuran - Furoic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Cyclohexenone - B'-hydroxy-alpha,beta-unsaturated-ketone - Alpha-branched alpha,beta-unsaturated-ketone - Beta-hydroxy ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Furan - Enone - Cyclic alcohol - Acryloyl-group - Secondary alcohol - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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