Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OC(=O)C3=CC=CC=C3)=C4)[C@@H]1CC[C@@H]2O.C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@H]2OC(=O)CCC1=CC=CC=C1

InChIKey

InChIKey=KQOZFKVWPNCLFD-RZCVHGTRSA-N

Formula

C52H60O6

Mass

781.046

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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

Not available

Substituents

17-hydroxysteroid - Hydroxysteroid - Estrane-skeleton - Phenanthrene - Tetralin - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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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