Compound Identification
SMILES
CC(C(O)CC1(C)OC1(C)C)C1CCC2C3C(O)CC4=CC(=O)C=CC4(C)C3CCC12C
InChIKey
InChIKey=RPCWUNDQUXNHLA-UHFFFAOYSA-N
Formula
C28H42O4
Mass
442.64
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 7-hydroxysteroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Oxacyclic compounds 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 - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 7-hydroxysteroid - Hydroxysteroid - Oxosteroid - Delta-1,4-steroid - Cyclic alcohol - Ketone - Secondary alcohol - Cyclic ketone - Ether - Oxirane - Organoheterocyclic compound - Dialkyl ether - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - 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