Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)C(CC(=O)NCCS(O)(=O)=O)CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC(CC(=O)NCCS(O)(=O)=O)C1=CC=C(C=C1)C(C)(C)C
InChIKey
InChIKey=PJGRCYNVSJHGFW-PWLMHSIJSA-N
Formula
C53H78N2O12S2
Mass
999.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Steroid esters
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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
Androstane steroids Aromatic monoterpenoids Phenylpropanes N-acyl amines Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary carboxylic acid amides Carboxylic acid esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Steroid ester - Androstane-skeleton - P-cymene - Phenylpropane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Fatty amide - N-acyl-amine - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic 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