Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC[C@@]2(C)C[C@@H]3CC[C@H](COC(=O)C4=CC=CC=C4)[C@@H]3[C@@H]12

InChIKey

InChIKey=ZPMAIJLNEVKKSI-TZDBLYRBSA-N

Formula

C22H30O2

Mass

326.48

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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

Aromatic homopolycyclic compounds

Substituents

Capnellane sesquiterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic 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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