Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC(C)(C)[C@H]1CCC(=C)[C@@H]2CC[C@](C)(O)[C@@H]2C1

InChIKey

InChIKey=BVCFBFNQCMEHNS-MPTYRVRUSA-N

Formula

C17H28O3

Mass

280.408

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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

Guaianes

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Guaiane sesquiterpenoid - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively.

External Descriptors

Not available

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