Compound Identification
SMILES
CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=UQTLRMAXXDCFFD-MVBTYRTFSA-N
Formula
C27H46O5
Mass
450.66
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 Ecdysteroids 6-oxosteroids 3-alpha-hydroxysteroids Tertiary alcohols Secondary alcohols Ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Cholesterol-skeleton - Cholestane-skeleton - Tetrahydroxy bile acid, alcohol, or derivatives - Ecdysteroid - 22-hydroxysteroid - 20-hydroxysteroid - 3-hydroxysteroid - 6-oxosteroid - 3-alpha-hydroxysteroid - Oxosteroid - 2-hydroxysteroid - Hydroxysteroid - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Ketone - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen 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