Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=VASHPTITBFOCQP-ZWTMZQOBSA-N

Formula

C17H24O2

Mass

260.377

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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 heteropolycyclic compounds

Substituents

Elemane sesquiterpenoid - Benzofuran - Vinylogous ester - Oxolane - Enal - Alpha,beta-unsaturated aldehyde - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic heteropolycyclic 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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