Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(=C4)C(O)=O)[C@@H]1CC[C@@H]2C(=O)NCC1=CC=CC=C1

InChIKey

InChIKey=WTWUTBSLIDRRMW-CXBVJKJKSA-N

Formula

C27H31NO3

Mass

417.549

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroid acids

Intermediate Tree Nodes

Not available

Direct Parent

3-carboxy steroids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

3-carboxy steroid - Estrane-skeleton - Phenanthrene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Tetralin - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-carboxy steroids. These are steroid compounds that carry a carboxyl group at the C3-atom of the steroid backbone.

External Descriptors

Not available

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