Structure Information
Structure

Compound Identification

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=FADCOUQPHXGWQS-ZCDXYYCTSA-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 - Cholesterol-skeleton - Ecdysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - 3-beta-hydroxysteroid - 6-oxosteroid - Delta-7-steroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - Ketone - Secondary alcohol - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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:19290 : 3beta-hydroxy steroid - enone - 6-oxo steroid - 14alpha-hydroxy steroid
LIPIDMAPS (LMST01010179) : Cholesterol and derivatives

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