Compound Identification
SMILES
CC(C(O)CC(C)(O)C(C)(C)O)C1CCC2C3C(O)CC4=CC(=O)CC(OC(C)=O)C4(C)C3CCC12C
InChIKey
InChIKey=LENKRKAUGZSJTK-UHFFFAOYSA-N
Formula
C30H48O7
Mass
520.707
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
Ergosterols and derivatives Steroid esters 7-hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergostane-skeleton - Ergosterol-skeleton - Tetrahydroxy bile acid, alcohol, or derivatives - 25-hydroxysteroid - 24-hydroxysteroid - 22-hydroxysteroid - Steroid ester - 3-oxo-delta-4-steroid - 3-oxosteroid - 7-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Cyclic ketone - Carboxylic acid ester - Ketone - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - 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