Compound Identification
SMILES
C[C@H]([C@H](O)CCC(C)(C)OC(=O)C1=CC=CC=C1)[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=UPRPZAIRAGNHAE-NSVYNZHZSA-N
Formula
C34H48O6
Mass
552.752
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
Trihydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives Ecdysteroids 6-oxosteroids 3-hydroxy delta-7-steroids 3-beta-hydroxysteroids 14-hydroxysteroids Delta-7-steroids Benzoic acid esters Benzoyl derivatives Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholesterol-skeleton - Cholesterol - Cholestane-skeleton - Ecdysteroid - Trihydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 6-oxosteroid - 3-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - 14-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-7-steroid - Delta-7-steroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
External Descriptors
Not available