Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(COC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)OC(=O)CC2=CC=C(C=C2)N(CC(C)Cl)CC(C)Cl)C=C1

InChIKey

InChIKey=PPTGEHOUDFHIAE-OWGNKRGZSA-N

Formula

C46H65Cl2NO6

Mass

798.93

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Bile acids, alcohols and derivatives

Intermediate Tree Nodes

Hydroxy bile acids, alcohols and derivatives

Direct Parent

Monohydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Monohydroxy bile acid, alcohol, or derivatives - Steroid ester - Hydroxysteroid - 12-hydroxysteroid - Benzyloxycarbonyl - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Nitrogen mustard - Anisole - Alkyl aryl ether - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Cyclic alcohol - Tertiary amine - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - Alcohol - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.

External Descriptors

Not available

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