Structure Information
Structure

Compound Identification

SMILES

C[C@@]1(CO)[C@H]2C[C@]3([C@@H](CC[C@@H]13)C(O)=O)[C@@H](O)C=C2C(O)=O

InChIKey

InChIKey=WSASFFHWOQGSER-MUAIWGBPSA-N

Formula

C15H20O6

Mass

296.319

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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 homopolycyclic compounds

Substituents

Cedrane sesquiterpenoid - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - 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 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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