Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC[C@@]2(C)C[C@@H]3CC(=O)C(CO)=C3[C@@H]12

InChIKey

InChIKey=NTWAILWJIBFQKE-FGEZKYSXSA-N

Formula

C15H22O2

Mass

234.339

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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 - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - 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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