Compound Identification
SMILES
CCCCOC(=O)C(C(=O)OCCCC)[C@]1(CC[C@@]2(C)[C@H](C[C@@H](OC=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)[C@H](C[C@H]23)OC=O)C1)C1=CC=C(COC(C)(C)C)C=C1
InChIKey
InChIKey=LQODZMYJFIKCPT-NBVIDVBHSA-N
Formula
C49H74O11
Mass
839.12
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 Pentacarboxylic acids and derivatives Sesquiterpenoids Benzylethers Fatty acid methyl esters 1,3-dicarbonyl compounds Methyl esters Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid ester - Pentacarboxylic acid or derivatives - Sesquiterpenoid - Benzylether - Fatty acid ester - Fatty acid methyl ester - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen 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