Compound Identification
SMILES
CC(C)(O)[C@H](CO)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@]4(C)CC(O)C(O)C[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=NMLIJILSPRWBIB-YEPLXIKESA-N
Formula
C29H48O8
Mass
524.695
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
Ergosterols and derivatives 6-oxosteroids 3-hydroxy delta-7-steroids 14-hydroxysteroids Delta-7-steroids Fatty alcohols Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Hexahydroxy bile acid, alcohol, or derivatives - Ergostane-skeleton - Ergosterol-skeleton - 25-hydroxysteroid - Hydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 20-hydroxysteroid - 6-oxosteroid - Oxosteroid - Hydroxysteroid - 14-hydroxysteroid - 2-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-7-steroid - Delta-7-steroid - Fatty alcohol - Cyclohexenone - Fatty acyl - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic 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