Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1C[C@](C)(C=C)[C@H](C[C@H]1C(C)(C)O)C(C)=C

InChIKey

InChIKey=OVOINWQJBHVFGP-ANQUJSFKSA-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

Elemane sesquiterpenoids

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively.

External Descriptors

Not available

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