Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1(CC[C@]2(C)C[C@H]3CCC(=C)[C@H]3[C@H]12)C(=O)OC

InChIKey

InChIKey=YOSBTMFIQYJHPO-NFFDBFGFSA-N

Formula

C17H24O4

Mass

292.375

Export to:

JSON SDF CSV

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 - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

Previous Back Next