Compound Identification
SMILES
COC(=O)C(CCC(=C)C(C)C)C1C(O)CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C
InChIKey
InChIKey=BFNNTYPTOMHXQS-UHFFFAOYSA-N
Formula
C32H50O4
Mass
498.748
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
Triterpenoids Ergosterols and derivatives 3-hydroxy delta-7-steroids 16-hydroxysteroids Delta-7-steroids Methyl esters Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Triterpenoid - Ergosterol-skeleton - Ergostane-skeleton - Dihydroxy bile acid, alcohol, or derivatives - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - Hydroxysteroid - 16-hydroxysteroid - Delta-7-steroid - Cyclic alcohol - Methyl ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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