Compound Identification
SMILES
CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](OC(C)=O)[C@H]4C[C@H](CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)OC(C)=O
InChIKey
InChIKey=XHSMRLQJHSJCMY-IQGUQIHSSA-N
Formula
C31H50O6
Mass
518.735
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
Dihydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives Steroid esters 11-alpha-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 - Cholestane-skeleton - Dihydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - Steroid ester - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Hydroxysteroid - Delta-7-steroid - Dicarboxylic acid or derivatives - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors
Not available