Compound Identification
SMILES
CC(O)(CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
InChIKey
InChIKey=CBVIQTRBPLDFEH-CPDIQSOBSA-N
Formula
C27H42O9
Mass
510.624
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxy bile acids, alcohols and derivatives
Alternative Parents
Ecdysteroids Steroid acids 3-hydroxy delta-7-steroids 6-oxosteroids 14-hydroxysteroids 3-beta-hydroxysteroids Delta-7-steroids Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Cyclohexenones Hydroxy fatty acids Alpha hydroxy acids and derivatives Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Polyols Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Hexahydroxy bile acid, alcohol, or derivatives - Ecdysteroid - 25-hydroxysteroid - Hydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 20-hydroxysteroid - Steroid acid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 6-oxosteroid - 3-beta-hydroxysteroid - 2-hydroxysteroid - 14-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-7-steroid - Medium-chain hydroxy acid - Medium-chain fatty acid - Cyclohexenone - Hydroxy fatty acid - Alpha-hydroxy acid - Hydroxy acid - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Ketone - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing at least hydroxyl group.
External Descriptors
Not available