Compound Identification
SMILES
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
InChIKey
InChIKey=LADJWZMBZBVBSB-HSGZZQKSSA-N
Formula
C31H48O4
Mass
484.721
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 Steroid acids 14-alpha-methylsteroids 16-alpha-hydroxysteroids 3-alpha-hydroxysteroids 3-hydroxy delta-7-steroids Delta-7-steroids Medium-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Triterpenoid - Ergosterol-skeleton - Ergostane-skeleton - Dihydroxy bile acid, alcohol, or derivatives - Steroid acid - Hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 14-alpha-methylsteroid - 16-alpha-hydroxysteroid - 16-hydroxysteroid - 3-alpha-hydroxysteroid - Delta-7-steroid - Medium-chain fatty acid - Hydroxy fatty acid - Unsaturated fatty acid - Fatty acyl - Fatty acid - Cyclic alcohol - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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