Compound Identification
SMILES
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12.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=UPLZKSCDKYSPDC-FOAOGMTASA-N
Formula
C47H66O13
Mass
839.032
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
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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 lactones
Intermediate Tree Nodes
Not available
Direct Parent
Spironolactones and derivatives
Alternative Parents
Fatty alcohols Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Cyclohexenones Fatty acid esters Branched fatty acids Hydroxy fatty acids Oxepanes Beta hydroxy acids and derivatives Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Methyl esters Secondary alcohols Dialkyl ethers Epoxides Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Spironolactone - Fatty alcohol - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Branched fatty acid - Cyclohexenone - Fatty acid ester - Oxepane - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Gamma butyrolactone - Hydroxy acid - Methyl ester - Oxolane - Carboxylic acid ester - Cyclic ketone - Secondary alcohol - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - 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