Compound Identification
SMILES
CC(C)CC[C@H](O)[C@](C)(O)C1CCC2C3=CC(=O)C4=C[C@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=NBEQHHTVOOYUFN-DBRGLKGZSA-N
Formula
C27H42O5
Mass
446.628
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
Tetrahydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives 6-oxosteroids 3-hydroxy delta-7-steroids 3-alpha-hydroxysteroids Delta-7-steroids Cyclohexenones Tertiary alcohols Secondary alcohols 1,2-diols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol-skeleton - Tetrahydroxy bile acid, alcohol, or derivatives - Cholestane-skeleton - 22-hydroxysteroid - 20-hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 2-hydroxysteroid - Hydroxysteroid - Oxosteroid - 3-alpha-hydroxysteroid - 6-oxosteroid - Delta-7-steroid - Cyclohexenone - Tertiary alcohol - Ketone - 1,2-diol - Secondary alcohol - Alcohol - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.
External Descriptors
Not available