Structure Information
Structure

Compound Identification

SMILES

CCC1(CC[C@]2(C)C(C)C(=O)C=C3[C@@]2(C)CC[C@H]2C(C)(C)C(=O)[C@@]4(O[C@@H]4[C@]32C)C#N)CCC(C)(C)CC1

InChIKey

InChIKey=HUMMHPRMXVZDPL-BFZZTDQUSA-N

Formula

C33H49NO3

Mass

507.759

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Oxosteroids

Intermediate Tree Nodes

3-oxosteroids - 1,2-epoxy-3-oxosteroids

Direct Parent

1-alpha,2-epoxy-3-oxo-5-alpha-steroids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

1-alpha,2-epoxy-3-oxo-5-alpha-steroid - 3-oxo-5-alpha-steroid - Oxepane - Cyclohexenone - Ketone - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Ether - Oxirane - Dialkyl ether - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-alpha,2-epoxy-3-oxo-5-alpha-steroids. These are 3-oxo-5-alpha-steroids sharing the carbon atoms C1 and C2 wit an epoxide ring to form a 1-alpha,2-epoxy moiety.

External Descriptors

Not available

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