Structure Information
Structure

Compound Identification

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChIKey

InChIKey=UQPYXHJTHPHOMM-NIBOIBLTSA-N

Formula

C27H44O3

Mass

416.646

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Cholestane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Cholesterols and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Cholesterol-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - 7-hydroxysteroid - Oxosteroid - 12-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.

External Descriptors

CHEBI:28477 : 3-oxo steroid - 7alpha-hydroxy steroid - cholestanoid - 12alpha-hydroxy steroid
LIPIDMAPS (LMST04030114) : C27 bile acids, alcohols, and derivatives

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