Structure Information
Structure

Compound Identification

SMILES

CC(C)(O)C(CC[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C1=CC=CN1

InChIKey

InChIKey=AVXVGYYNQOOFRN-WBKALDGLSA-N

Formula

C32H47NO8

Mass

573.727

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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

Pentahydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pentahydroxy bile acid, alcohol, or derivatives - Ecdysteroid - 25-hydroxysteroid - 20-hydroxysteroid - 6-oxosteroid - 3-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - 14-hydroxysteroid - 2-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-7-steroid - Delta-7-steroid - Pyrrole-2-carboxylic acid or derivatives - Cyclohexenone - Substituted pyrrole - Heteroaromatic compound - Tertiary alcohol - Pyrrole - Cyclic alcohol - Secondary alcohol - Ketone - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.

External Descriptors

Not available

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