Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@]1(C)[C@@H]2CC[C@@]3(C#N)[C@H](CO)C(C)=CC[C@@H]3[C@@]2(C)CCC1=O

InChIKey

InChIKey=FUVLKYSZBRQVGO-MBSGBTIZSA-N

Formula

C22H31NO4

Mass

373.493

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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

Aliphatic homopolycyclic compounds

Substituents

Isocopalane diterpenoid - 3-oxosteroid - Oxosteroid - 3-oxo-5-alpha-steroid - Steroid - Hydrophenanthrene - Phenanthrene - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Cyanide - Aliphatic homopolycyclic 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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