Compound Identification
SMILES
[Na+].[H][C@@]1(C[C@@]2(C)[C@@]([H])(C[C@@]([H])(O)[C@@]3([H])[C@@]4(C)CC[C@@]([H])(O)[C@@]([H])(C)[C@]4([H])CC[C@]23C)\C1=C(/CCC=C(C)C)C([O-])=O)OC(C)=O
InChIKey
InChIKey=HJHVQCXHVMGZNC-JCJNLNMISA-M
Formula
C31H47NaO6
Mass
538.701
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Steroid esters
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid esters
Intermediate Tree Nodes
Not available
Direct Parent
Steroid esters
Alternative Parents
11-alpha-hydroxysteroids 3-alpha-hydroxysteroids Medium-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Carboxylic acid salts Cyclic alcohols and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organic zwitterions
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Steroid ester - 3-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Medium-chain fatty acid - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Unsaturated fatty acid - Cyclic alcohol - Carboxylic acid ester - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organic sodium salt - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Organic zwitterion - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
External Descriptors
Not available