Structure Information
Structure

Compound Identification

SMILES

CCC(SC1=CC=CC=C1)([C@H]1CC[C@](C)(C=C)[C@H](C1)C(C)=C)C(=O)OC

InChIKey

InChIKey=FHKSYWRMTBIMRM-LEDOCMNTSA-N

Formula

C23H32O2S

Mass

372.57

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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

Aromatic homomonocyclic compounds

Substituents

Elemane sesquiterpenoid - Aryl thioether - Thiophenol ether - Fatty acid ester - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Methyl ester - Carboxylic acid ester - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic 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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