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Structure Information
Structure

Compound Identification

SMILES

C[C@@]1(CC[C@H]2[C@@H](CC[C@]34O[C@H]3C(=O)CC[C@]24C)C1CC#N)C1OCCO1

InChIKey

InChIKey=PFIWKFYRQFQHSH-SATBBMOKSA-N

Formula

C21H29NO4

Mass

359.466

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Steroids and steroid derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Steroid - Oxepane - Meta-dioxolane - Ketone - Acetal - Dialkyl ether - Oxirane - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Cyanide - Aldehyde - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.

External Descriptors

Not available

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