Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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