Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@]2(O)C#CC1=C(OC2=CC=CC=C2C1=O)C1=CC=CC=C1

InChIKey

InChIKey=CGUPKHDRJRJHOD-XHERZUNTSA-N

Formula

C35H32O4

Mass

516.637

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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

Aromatic heteropolycyclic compounds

Substituents

Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-hydroxysteroid - Flavone - Phenanthrene - Chromone - Benzopyran - 1-benzopyran - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Benzenoid - Ynone - Pyran - Heteroaromatic compound - Cyclic alcohol - Tertiary alcohol - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic 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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