Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

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

Previous Back Next