Structure Information
Structure

Compound Identification

SMILES

CCC12CC[C@H]3[C@@H](CC[C@]45O[C@@H]4C(=O)CC[C@H]35)[C@@H]1CCC2(O)C#C

InChIKey

InChIKey=QAADEDKZKKRMIM-UPNZZDETSA-N

Formula

C21H28O3

Mass

328.452

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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

Aliphatic heteropolycyclic compounds

Substituents

Estrane-skeleton - Oxepane - Ynone - Monosaccharide - Tertiary alcohol - Cyclic alcohol - Ketone - Haloacetylene or derivatives - Acetylide - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic 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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