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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038312

(2beta,3beta,5beta)-2,3-Diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide

Formula: C28H36O9  |  Mol. Weight: 516.60 g/mol

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

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Overview

Molecular Formula C28H36O9
Molecular Weight 516.60 g/mol
Canonical SMILES CC(=O)OC1CC2(CCC3C(C2(CC1OC(=O)C)C=O)CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy