Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC(COS(C)(=O)=O)(COS(C)(=O)=O)[C@H]1[C@H]1[C@H](CCC1=C)C2

InChIKey

InChIKey=SNRJEQXCQRGMBD-LVQVYYBASA-N

Formula

C17H28O6S2

Mass

392.53

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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

Triquinane sesquiterpenoids - Linear triquinanes

Direct Parent

Capnellane and isocapnellane sesquiterpenoids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Capnellane sesquiterpenoid - Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as capnellane and isocapnellane sesquiterpenoids. These are sesquiterpenes with a structure characterized by the presence of a tricyclo[6.3.0.0^2,6]undecane ring system, which is also found in the hirsutane group. However, capnellanes carry two methyl groups at the 3-position.

External Descriptors

Not available

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