Compound Identification
SMILES
CC(C)(O)CC[C@H](OC(=O)C1=CC=CC=C1)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=GHZYCHXISZLQFT-JERJPOIBSA-N
Formula
C34H48O8
Mass
584.75
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
Pentahydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives Ecdysteroids 14-hydroxysteroids 3-beta-hydroxysteroids 3-hydroxy delta-7-steroids 6-oxosteroids Delta-7-steroids Benzoic acid esters Benzoyl derivatives Cyclohexenones Tertiary alcohols Carboxylic acid esters Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Polyols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pentahydroxy bile acid, alcohol, or derivatives - Cholesterol - Cholesterol-skeleton - Cholestane-skeleton - Ecdysteroid - 25-hydroxysteroid - 20-hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 2-hydroxysteroid - 14-hydroxysteroid - 6-oxosteroid - 3-beta-hydroxysteroid - Hydroxysteroid - Oxosteroid - Delta-7-steroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.
External Descriptors
Not available