Structure Information
Structure

Compound Identification

SMILES

[H]OC1([H])C([H])([H])C([H])([H])C2(C([H])=O)C3([H])C([H])([H])C([H])([H])C4(C([H])([H])[H])C5([H])C6=C([H])C(=O)OC6([H])C(=C([H])C5([H])C([H])([H])C4(O[H])C3(O[H])C([H])([H])C3([H])C([H])([H])C([H])(C([H])([H])C([H])([H])C1([H])C23O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])N([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])[H]

InChIKey

InChIKey=PYYINXNKQRSPKN-UHFFFAOYSA-O

Formula

C36H55N2O7

Mass

627.842

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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

Cardenolides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Sesterterpenoid - Cardanolide-skeleton - Hydroxysteroid - 5-hydroxysteroid - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Secondary amine - Polyol - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aldehyde - Alcohol - Organic cation - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.

External Descriptors

Not available

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