Compound Identification
SMILES
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C)OOC1(CCC(CC1)C(O)=O)OO5)OC(C)=O
InChIKey
InChIKey=ICEZGEDNPZIVEI-ORYUWPRUSA-N
Formula
C35H52O12
Mass
664.789
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 Tetracarboxylic acids and derivatives Dialkyl peroxides Carboxylic acid esters Oxacyclic compounds Carboxylic acids Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid ester - Tetracarboxylic acid or derivatives - Dialkyl peroxide - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic 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