Structure Information
Structure

Compound Identification

SMILES

COCO[C@H]1CC[C@]2(C)[C@@H]3CCC4(COC4)C[C@H]3C=C[C@H]2[C@@H]1C(=O)OC

InChIKey

InChIKey=USGOMEMVTLXCOY-NQKDJWEYSA-N

Formula

C21H32O5

Mass

364.482

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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 - Phenanthrene - Methyl ester - Carboxylic acid ester - Oxetane - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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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