Structure Information
Structure

Compound Identification

SMILES

C[C@@]12C[C@@H](O)[C@@H](O)[C@@H](CO)[C@H]1CCC(=C)[C@H]2CC(=O)C1=COC=C1

InChIKey

InChIKey=JWPAVAPOANDRMB-FYRXIQKBSA-N

Formula

C19H26O5

Mass

334.412

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Colensane and clerodane diterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Clerodane diterpenoid - Aryl ketone - Aryl alkyl ketone - Cyclic alcohol - Furan - Heteroaromatic compound - Ketone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.

External Descriptors

Not available

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