Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)[C@H]1CC[C@@]3(C)[C@@H](C[C@@H](CNCC4=CC=C(Cl)C=C4)[C@@H]3OS(=O)(=O)C3=CC=C(C)C=C3)[C@@H]1CC2

InChIKey

InChIKey=VSSATBYGXNNIEV-XKOJEJJYSA-N

Formula

C34H40ClNO4S

Mass

594.21

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Estrane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Estrane steroids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Estrane-skeleton - Phenanthrene - Benzenesulfonate ester - P-methylbenzenesulfonate - Tetralin - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Toluene - Chlorobenzene - Halobenzene - Organosulfonic acid ester - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary amine - Ether - Secondary aliphatic amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Amine - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.

External Descriptors

Not available

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