Structure Information
Structure

Compound Identification

SMILES

C[C@H](COC(=O)C1=CC=CC=C1)[C@@H]1CC[C@H](C)[C@@H](CCC=O)[C@@H](C)C1=O

InChIKey

InChIKey=OIZKHIYLHIHSID-PNDFQMOFSA-N

Formula

C22H30O4

Mass

358.478

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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

Pseudoguaianes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

4,5-secopseudoguaiane sesquiterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Alpha-hydrogen aldehyde - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as pseudoguaianes. These are sesquiterpenoids with a structure based on the pseudoguaiane skeleton, which arises by the migration of the a methyl group of the bicyclic guaiane skeleton from the C4 to the C5 position.

External Descriptors

Not available

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