Structure Information
Structure

Compound Identification

SMILES

COCCOC1=CC2=C(C=C1C#N)[C@H]1CC[C@@]3(C)[C@@H](CC[C@@]33CCC(C)(C)C(=O)O3)[C@@H]1CC2

InChIKey

InChIKey=DBERIEFIHOJVNL-NOPJHZOQSA-N

Formula

C28H37NO4

Mass

451.607

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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

Aromatic heteropolycyclic compounds

Substituents

Steroid - Phenanthrene - Tetralin - Phenol ether - Alkyl aryl ether - Delta valerolactone - Delta_valerolactone - Oxane - Benzenoid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic 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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