Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]1(C)[C@H]2C[C@]34[C@@H](CC[C@@H]13)[C@H](OC(=O)CC(C)C)OC=C4C=C2

InChIKey

InChIKey=FNLVWVNGNLUSMJ-QPPKDJHYSA-N

Formula

C21H28O5

Mass

360.45

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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

Cedrane and isocedrane sesquiterpenoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Isocedrane sesquiterpenoid - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cedrane and isocedrane sesquiterpenoids. These are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position.

External Descriptors

Not available

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