Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC(C)(C)[C@H]1CC[C@@](C)(O1)[C@@H]1CCC(=C)[C@@H]2CC=C(C)[C@@H]2[C@@H]1O

InChIKey

InChIKey=UAKWEDLSNRMIPK-DJIXWYQQSA-N

Formula

C22H34O4

Mass

362.51

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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

Pachydictyane and cneorubin diterpenoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Pachydictyane or cneorubin diterpenoid - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carbonyl group - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pachydictyane and cneorubin diterpenoids. These are diterpenoids with a structure that is based either on the pachydictyane or the cneorubin skeleton. Pachydictyane is a bicyclic compound consisting of a guaiane skeleton that carries a prenyl group attached to the C12 carbon atom. Cneorubin is a tricyclic compound consisting of a cycloprop[e]azulene where the cyclopropane carries a methyl group and a 4-methylpentyl group.

External Descriptors

Not available

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