Compound Identification
SMILES
CC(C)C(O)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4(O)CC(O)C(CC4(C)C3CCC12C)OC(=O)C=Cc1ccccc1
InChIKey
InChIKey=PKJZKRZLTGYWSS-UHFFFAOYSA-N
Formula
C36H50O9
Mass
626.787
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxy bile acids, alcohols and derivatives
Alternative Parents
Steroid esters 14-hydroxysteroids 3-hydroxy delta-7-steroids 6-oxosteroids Delta-7-steroids Cinnamic acid esters Styrenes Cyclohexenones Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Hexahydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - Hydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 20-hydroxysteroid - Steroid ester - 5-hydroxysteroid - Hydroxysteroid - 3-hydroxy-delta-7-steroid - 14-hydroxysteroid - 3-hydroxysteroid - Oxosteroid - 6-oxosteroid - Delta-7-steroid - Cinnamic acid or derivatives - Cinnamic acid ester - Styrene - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Enoate ester - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Polyol - Monocarboxylic acid or derivatives - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing at least hydroxyl group.
External Descriptors
Not available