Structure Information
Structure

Compound Identification

SMILES

COC1CCC2C(CN(C)C3C2C=CC24OC2C2=C(OCO2)C=C34)C1OC

InChIKey

InChIKey=WLXYTBWTTBHYJT-UHFFFAOYSA-N

Formula

C21H27NO5

Mass

373.449

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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 - Benzoquinoline - Phenanthridine - Quinoline - Piperidine - Meta-dioxole - Tertiary amine - Tertiary aliphatic amine - Acetal - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - 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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