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
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
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
Ecdysteroids 6-oxosteroids 3-hydroxy delta-7-steroids 3-beta-hydroxysteroids 14-hydroxysteroids Delta-7-steroids Pyrrole carboxylic acids and derivatives Cyclohexenones Substituted pyrroles Tertiary alcohols Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
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