Compound Identification
SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC(=O)\C=C\C3=CC(OC(=O)OC)=C(OC(=O)OC)C=C3)[C@]12C)OC(=O)\C=C\C1=CC(OC(=O)OC)=C(OC(=O)OC)C=C1
InChIKey
InChIKey=VCQSOHZQZRVUDN-OCWFKQDUSA-N
Formula
C51H62O18
Mass
963.039
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Bile acids, alcohols and derivatives
Alternative Parents
Steroid esters Coumaric acids and derivatives Cinnamic acid esters Tricarboxylic acids and derivatives Styrenes Phenoxy compounds Fatty acid methyl esters Carbonic acid diesters Methyl esters Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Tricarboxylic acid or derivatives - Phenoxy compound - Styrene - Fatty acid methyl ester - Fatty acid ester - Monocyclic benzene moiety - Carbonic acid diester - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.
External Descriptors
Not available