Compound Identification
SMILES
CSC(=O)CC(=O)OC(CC1(C)OC1(C)C)C(C)C1CCC2C3C(O)CC4=CC(=O)C=CC4(C)C3CCC12C
InChIKey
InChIKey=ZTHHPKJCQKRAOJ-UHFFFAOYSA-N
Formula
C32H46O6S
Mass
558.77
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
Monohydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives Steroid esters 3-oxo delta-1,4-steroids 7-hydroxysteroids Delta-1,4-steroids 1,3-dicarbonyl compounds Thioesters Secondary alcohols Carbothioic S-esters Carboxylic acid esters Cyclic alcohols and derivatives Cyclic ketones Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Epoxides Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cholesterol-skeleton - Cholestane-skeleton - Monohydroxy bile acid, alcohol, or derivatives - Steroid ester - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - Hydroxysteroid - 7-hydroxysteroid - Delta-1,4-steroid - 1,3-dicarbonyl compound - Cyclic alcohol - Thiocarboxylic acid ester - Cyclic ketone - Carbothioic s-ester - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Dialkyl ether - Oxirane - Ether - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.
External Descriptors
Not available