Compound Identification
SMILES
COC1=CC=C(COC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)OC(=O)CC2=CC=C(C=C2)N(CC(C)Cl)CC(C)Cl)C=C1
InChIKey
InChIKey=PPTGEHOUDFHIAE-OWGNKRGZSA-N
Formula
C46H65Cl2NO6
Mass
798.93
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
Monohydroxy bile acids, alcohols and derivatives
Alternative Parents
Steroid esters 12-hydroxysteroids Benzyloxycarbonyls Phenoxy compounds Nitrogen mustard compounds Methoxybenzenes Dialkylarylamines Anisoles Aniline and substituted anilines Alkyl aryl ethers Dicarboxylic acids and derivatives Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Monohydroxy bile acid, alcohol, or derivatives - Steroid ester - Hydroxysteroid - 12-hydroxysteroid - Benzyloxycarbonyl - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Nitrogen mustard - Anisole - Alkyl aryl ether - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Cyclic alcohol - Tertiary amine - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.
External Descriptors
Not available