Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CNC(=O)CN)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1

InChIKey

InChIKey=XHKRUTRVYSJRGI-QYWLGFMRSA-N

Formula

C27H40N2O6

Mass

488.625

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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

Cardanolide-skeleton - Steroid ester - Alpha peptide - 14-hydroxysteroid - Hydroxysteroid - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - 2-furanone - Dicarboxylic acid or derivatives - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Alcohol - Amine - Primary amine - Organooxygen compound - Organopnictogen compound - Primary aliphatic amine - Organonitrogen compound - 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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