Compound Identification
SMILES
CC(C)(O)CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[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
InChIKey
InChIKey=OYLAWXRQIJWVHG-BRUSFFCGSA-N
Formula
C33H54O12
Mass
642.783
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
Pentahydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives Steroidal glycosides Ecdysteroids 6-oxosteroids 3-hydroxy delta-7-steroids 3-beta-hydroxysteroids 14-hydroxysteroids Delta-7-steroids Fatty acyl glycosides of mono- and disaccharides Hexoses Alkyl glycosides O-glycosyl compounds Cyclohexenones Oxanes Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pentahydroxy bile acid, alcohol, or derivatives - Cholesterol-skeleton - Cholesterol - Cholestane-skeleton - Steroidal glycoside - Ecdysteroid - 25-hydroxysteroid - 20-hydroxysteroid - 6-oxosteroid - 3-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - 14-hydroxysteroid - 2-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-7-steroid - Delta-7-steroid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Hexose monosaccharide - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Cyclohexenone - Fatty acyl - Oxane - Monosaccharide - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.
External Descriptors
Not available