Compound Identification
SMILES
OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl.COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
InChIKey
InChIKey=KMNWUGSTEFYLCM-PUDZRVQSSA-N
Formula
C38H41Cl2NO8
Mass
710.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Spironolactones and derivatives
-
Subclass
Steroid lactones
-
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 lactones
Intermediate Tree Nodes
Not available
Direct Parent
Spironolactones and derivatives
Alternative Parents
Aniline and substituted anilines Dichlorobenzenes Cyclohexenones Oxepanes Aryl chlorides Primary aromatic amines Dicarboxylic acids and derivatives Gamma butyrolactones Oxolanes Methyl esters Amino acids Carboxylic acids Epoxides Dialkyl ethers Secondary amines Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
Spironolactone - 1,3-dichlorobenzene - Aniline or substituted anilines - Cyclohexenone - Chlorobenzene - Halobenzene - Oxepane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Benzenoid - Primary aromatic amine - Methyl ester - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Cyclic ketone - Ketone - Lactone - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxacycle - Oxirane - Ether - Organoheterocyclic compound - Organonitrogen compound - Amine - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as spironolactones and derivatives. These are steroid lactones with a structure based on the spironolactone skeleton.
External Descriptors
Not available