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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020462

Bufotalin

Formula: C26H36O6  |  Mol. Weight: 444.60 g/mol

IUPAC: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

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Overview

Molecular Formula C26H36O6
Molecular Weight 444.60 g/mol
Canonical SMILES CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=COC(=O)C=C5)C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy