Compound Identification
SMILES
CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@H]4[C@@H](OC(C)=O)[C@H](CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)OC(C)=O
InChIKey
InChIKey=JUIWOPVQYVJTHL-WZFIDRELSA-N
Formula
C31H50O7
Mass
534.734
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
Cholesterols and derivatives Steroid esters 7-beta-hydroxysteroids 6-hydroxysteroids 16-oxosteroids 11-alpha-hydroxysteroids 1-hydroxysteroids Delta-7-steroids Dicarboxylic acids and derivatives Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Pentahydroxy bile acid, alcohol, or derivatives - Cholestane-skeleton - 22-hydroxysteroid - Steroid ester - 6-hydroxysteroid - Hydroxysteroid - 16-oxosteroid - Oxosteroid - 1-hydroxysteroid - 11-alpha-hydroxysteroid - 11-hydroxysteroid - 7-beta-hydroxysteroid - 7-hydroxysteroid - Delta-7-steroid - Dicarboxylic acid or derivatives - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organooxygen compound - Alcohol - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aliphatic homopolycyclic 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