Structure Information
Structure

Compound Identification

SMILES

CC(C)(\C=C\C(=O)[C@@]1(C)C[C@@H]2[C@@H]1CC[C@]1(C)O[C@H]1CCC2=C)C(O)=O

InChIKey

InChIKey=XFVIOCNOURUBAF-VFMMVDDYSA-N

Formula

C21H30O4

Mass

346.467

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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

Xeniaphyllane and xenicane diterpenoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Xeniaphyllane diterpenoid - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xeniaphyllane and xenicane diterpenoids. These are diterpenoids with a structure based either on the xeniaphyllane or the xenicane skeleton.

External Descriptors

Not available

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