Compound Identification
SMILES
CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1.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=ONZLBRJPOPRMLQ-PUDZRVQSSA-N
Formula
C39H52O9
Mass
664.836
Taxonomic Classification
Taxonomy Tree
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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
p-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Oxepanes Cyclohexenones Dicarboxylic acids and derivatives Gamma butyrolactones Oxolanes Methyl esters Epoxides Dialkyl ethers Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Spironolactone - Phenol ether - Phenoxy compound - Xylene - P-xylene - Oxepane - Cyclohexenone - Alkyl aryl ether - Dicarboxylic acid or derivatives - Gamma butyrolactone - Benzenoid - Monocyclic benzene moiety - Methyl ester - Oxolane - Carboxylic acid ester - Cyclic ketone - Ketone - Lactone - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxacycle - Oxirane - Ether - Organoheterocyclic compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen 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