Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H](CC([O-])=O)CC1=CC[C@H]1[C@H](CCC#N)C(=C)CC[C@H]21

InChIKey

InChIKey=VOZQWLJXDGMWAP-HXIIOJACSA-M

Formula

C21H28NO2

Mass

326.461

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Steroids and steroid derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Steroid - Hydrophenanthrene - Phenanthrene - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic anion - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.

External Descriptors

Not available

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