Compound Identification
SMILES
CC(O)C(=C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=KAKPOWHBQRJUKG-FBGFLLSJSA-N
Formula
C27H42O3
Mass
414.63
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 Hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids Fatty alcohols Cyclohexenones Secondary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol-skeleton - Cholestane-skeleton - 25-hydroxysteroid - Dihydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - Delta-4-steroid - Fatty alcohol - Cyclohexenone - Fatty acyl - Ketone - Secondary alcohol - Cyclic ketone - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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