Compound Identification
SMILES
C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=CRAPXAGGASWTPU-DUIYOXMUSA-N
Formula
C27H44O5
Mass
448.644
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-hydroxy delta-7-steroids 3-alpha-hydroxysteroids 14-hydroxysteroids Delta-7-steroids Cyclohexenones Tertiary alcohols Secondary alcohols 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 - 25-hydroxysteroid - 22-hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - 6-oxosteroid - 3-alpha-hydroxysteroid - Delta-7-steroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - Ketone - Secondary alcohol - Hydrocarbon derivative - Alcohol - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - 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