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Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C=C2C[C@H]3[C@@H]4CCC5=C(C=CC(O)=C5)[C@H]4CC[C@]3(C)C2=O)=CC(OC)=C1OC

InChIKey

InChIKey=SXBNEFMSOXFIIQ-DHMIZTNRSA-N

Formula

C28H32O5

Mass

448.559

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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 homopolycyclic compounds

Substituents

Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - Methoxybenzene - Phenol ether - Phenoxy compound - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ketone - Ether - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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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