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)C3=CC=CC=C3)[C@]12C)OP1OC2=C(C3=CC=CC=C3C=C2)C2=C(O1)C=CC1=CC=CC=C21
InChIKey
InChIKey=CTWUQTHQJGVCKZ-CMNAAPQJSA-N
Formula
C52H57O7P
Mass
824.995
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
Naphthalenes Benzoic acid esters Benzoyl derivatives Fatty acid methyl esters Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Benzoate ester - Naphthalene - Benzoic acid or derivatives - Benzoyl - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Aromatic 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