BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019107

Cinobufagin-3-hemisuccinate

Formula: C30H38O9  |  Mol. Weight: 542.60 g/mol

IUPAC: 4-[[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-4-oxobutanoic acid

3D View Find Similar

Overview

Molecular Formula C30H38O9
Molecular Weight 542.60 g/mol
Canonical SMILES CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)OC(=O)CCC(=O)O)C)C)C6=COC(=O)C=C6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy