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]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=MHUAZWAOQZCJEZ-CUAGIWPASA-N
Formula
C37H52O8
Mass
624.815
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 14-hydroxysteroids 6-oxosteroids Delta-7-steroids Benzoic acid esters Benzoyl derivatives Ketals Cyclohexenones 1,3-dioxolanes Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cholesterol - Cholestane-skeleton - Ecdysteroid - 25-hydroxysteroid - Trihydroxy bile acid, alcohol, or derivatives - 20-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - 6-oxosteroid - Delta-7-steroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Ketal - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Meta-dioxolane - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Organic oxygen compound - Carbonyl group - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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