Compound Identification
SMILES
CC(C)CCC(O)C(C)C1CCC2C3=CC(OC(C)=O)C4C(OC(C)=O)C(O)CCC4(C)C3C(O)CC12C
InChIKey
InChIKey=NOWCAXXOVHJADO-UHFFFAOYSA-N
Formula
C31H50O7
Mass
534.734
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
Tetrahydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives Steroid esters 3-hydroxy delta-7-steroids 16-oxosteroids 11-hydroxysteroids 1-hydroxysteroids Delta-7-steroids Dicarboxylic acids and derivatives Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Cholesterol-skeleton - Cholestane-skeleton - Tetrahydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - Steroid ester - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 1-hydroxysteroid - Hydroxysteroid - 16-oxosteroid - Oxosteroid - 11-hydroxysteroid - Delta-7-steroid - Dicarboxylic acid or derivatives - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Alcohol - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.
External Descriptors
Not available