Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=BIKFCMVNXMEVRC-KAGYGMCKSA-N

Formula

C22H34O4S

Mass

394.57

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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 - Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary alcohol - Sulfonyl - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - 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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