Structure Information
Structure

Compound Identification

SMILES

CCOC(C)=O.CCOC1=C(O)C=C2CC[C@H]3[C@@H]4CCC(OS(=O)OC5CC[C@@H]6[C@H]7CCC8=CC(O)=C(OCC)C=C8[C@@H]7CC[C@@]56C)[C@@]4(C)CC[C@@H]3C2=C1

InChIKey

InChIKey=WDIILFBAERMRLN-ULBQJDBASA-N

Formula

C44H62O9S

Mass

767.03

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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

Estrogens and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Estrogen-skeleton - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.

External Descriptors

Not available

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