Compound Identification
SMILES
CC(C(O)CC1(C)OC1(C)C)C1CCC2C3C(O)CC4=CC(=O)CC(OC(C)=O)C4(C)C3CCC12C
InChIKey
InChIKey=PKWPQVWQFPYZMA-UHFFFAOYSA-N
Formula
C30H46O6
Mass
502.692
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 Steroid esters 7-hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids Cyclohexenones Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cholesterol-skeleton - Cholestane-skeleton - Dihydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - Steroid ester - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 7-hydroxysteroid - Delta-4-steroid - Cyclohexenone - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkyl ether - Oxirane - Ether - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic 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