Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@@]1(C)C=CC[C@@]2(C)[C@H]1CC[C@]1(C#N)[C@@H]2CCC2=COC=C12

InChIKey

InChIKey=WRIAAOSOTHPSPX-OPNZPCBVSA-N

Formula

C22H27NO3

Mass

353.462

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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

Isocopalane and spongiane diterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Spongiane diterpenoid - Furan - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isocopalane and spongiane diterpenoids. These are diterpenoids with a structure based on the isocopalane (Tetradecahydro-1,1,4a,7,8,8a-hexamethylphenanthrene) or the 15,16-epoxyisocopalane skeleton.

External Descriptors

Not available

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