Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C)C(O)=O)[C@@H]1CC[C@@H]2C(=O)C1=CC=C(F)C=C1

InChIKey

InChIKey=YAGKTANDSVQGBM-JRZBRKEGSA-N

Formula

C27H31FO3

Mass

422.54

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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 - Androstane-skeleton - Alkyl-phenylketone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - 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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