Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CC[C@]2(C)[C@H]3CCCC(C)(C)C3=CC[C@]2(C)[C@H]1C(=O)OC[C@@H](O)COC(C)=O

InChIKey

InChIKey=MBGNGXKKJHWNGZ-CGPZZGQMSA-N

Formula

C25H40O5

Mass

420.59

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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 homopolycyclic compounds

Substituents

Steroid - Sesquiterpenoid - Phenanthrene - Hydrophenanthrene - 1,3-acyl-sn-glycerol - Diacylglycerol - Diradylglycerol - Glycerolipid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Organooxygen compound - Aliphatic homopolycyclic 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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