Compound Identification
SMILES
CCOC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)C(O)C[C@H]23)C1
InChIKey
InChIKey=KIRFLCKWEBLZMD-LMJLMNSLSA-N
Formula
C28H46O7
Mass
494.669
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
7-hydroxysteroids 12-hydroxysteroids Fatty acid methyl esters Carbonic acid diesters Methyl esters Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Dihydroxy bile acid, alcohol, or derivatives - 7-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Carbonic acid diester - Methyl ester - Cyclic alcohol - Secondary alcohol - Carbonic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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