Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1CC[C@@]2(C)C(C[C@H](OC(C)=O)[C@@]3(C)OC4=C([C@H](O)C23)C(=O)OC(=C4)C2=CN=CC=C2)[C@]1(C)COS(=O)(=O)C1=CC=CC=C1

InChIKey

InChIKey=YKQKTEXFBZEMFY-ZDAZUYGVSA-N

Formula

C35H39NO11S

Mass

681.75

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Hydroxysteroids

Intermediate Tree Nodes

Not available

Direct Parent

1-hydroxysteroids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-hydroxysteroid - Naphthopyran - Benzenesulfonate ester - Naphthalene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyran - Pyridine - Organosulfonic acid ester - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Vinylogous ester - Lactone - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-hydroxysteroids. These are steroids carrying a hydroxyl group at the 1-position of the steroid backbone.

External Descriptors

Not available

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