Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC=C(N)C=C1.CC(C)C1=CC(=O)C(O)=CC=C1.CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

InChIKey

InChIKey=WWXLGPIPFHPOAJ-NOQYICHDSA-N

Formula

C42H55NO10

Mass

733.899

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Pregnane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Gluco/mineralocorticoids, progestogins and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 17-hydroxysteroid - Delta-4-steroid - Aminobenzoic acid or derivatives - Benzoate ester - Tropolone - Benzoic acid or derivatives - Tropone - Benzoyl - Aniline or substituted anilines - Alpha-acyloxy ketone - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Amino acid or derivatives - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Primary amine - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - Alcohol - Hydrocarbon derivative - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.

External Descriptors

Not available

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