Structure Information
Structure

Compound Identification

SMILES

[99Tc].C[C@]12C[C@@H](OC(=O)CSCC(N)C(O)=O)C3C(CC[C@]4(O)C[C@H](C[C@@H](O)[C@]34CO)OC(=O)CSCC(N)C(O)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1

InChIKey

InChIKey=USNQEBBKUIPSHA-KJOWSYRFSA-N

Formula

C33H48N2O14S2Tc

Mass

859.77

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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

Not available

Substituents

Cardanolide-skeleton - Steroid ester - 19-hydroxysteroid - 1-hydroxysteroid - Hydroxysteroid - 5-hydroxysteroid - 14-hydroxysteroid - Pentacarboxylic acid or derivatives - Cysteine or derivatives - Alpha-amino acid or derivatives - Alpha-amino acid - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Amino acid - Secondary alcohol - Lactone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - 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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