Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC1CCC2=C(C=CC3=CC=CC=C23)C1(C)C(=O)OC

InChIKey

InChIKey=LDEIBPFXTMSEEQ-UHFFFAOYSA-N

Formula

C20H22O4

Mass

326.392

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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 homopolycyclic compounds

Substituents

Steroid - Hydrophenanthrene - Phenanthrene - 1-naphthalenecarboxylic acid or derivatives - Naphthalene - Tetralin - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aromatic 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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