Compound Identification
SMILES
COC(=O)\C=C\[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@H]2C[C@@]2(C)C(CC[C@@]22CCC(=O)O2)C13
InChIKey
InChIKey=ATCSZKBXUSHFTP-LUMWTIBRSA-N
Formula
C26H32O6
Mass
440.536
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Spironolactones and derivatives
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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
Oxepanes Fatty acid esters Cyclohexenones Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Methyl esters Enoate esters Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Spironolactone - Fatty acid ester - Cyclohexenone - Oxepane - Dicarboxylic acid or derivatives - Gamma butyrolactone - Fatty acyl - Oxolane - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Ketone - Cyclic ketone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic 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