Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC(=O)NC3=CC=CC=C3)[C@]12C)NC1=NCCCN1)OC(=O)NC1=CC=CC=C1

InChIKey

InChIKey=SVSQKQRQFLZHKX-FVTPRABRSA-N

Formula

C43H59N5O6

Mass

741.974

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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 - Pregnane-type alkaloid - Steroidal alkaloid - Azasteroid - Phenylcarbamic acid ester - Alkaloid or derivatives - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Guanidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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