Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC(=O)NC1=CC=CC=C1)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C)OOC(C)(C)OO5)OC(C)=O

InChIKey

InChIKey=VKOUJWZHKUSCOW-QNPJKSDRSA-N

Formula

C37H53NO9

Mass

655.829

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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

Not available

Direct Parent

Bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Bile acid, alcohol, or derivatives - Steroid ester - Anilide - N-arylamide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - Benzenoid - Fatty acyl - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Dialkyl peroxide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.

External Descriptors

Not available

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