Compound Identification
SMILES
CC(CCC[C@H](C)C(O)=O)[C@H]1CCC2C3=CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=SQTAVUCHOVVOFD-GYEFIRIJSA-N
Formula
C27H42O3
Mass
414.63
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 acids 3-oxo-5-alpha-steroids 3-oxo delta-7-steroids Delta-7-steroids Medium-chain fatty acids Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid acid - 3-oxo-delta-7-steroid - 3-oxosteroid - 3-oxo-5-alpha-steroid - Oxosteroid - Delta-7-steroid - Medium-chain fatty acid - Fatty acyl - Cyclic ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aliphatic 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