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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005886

Bufa-20,22-dienolide, 1,3,5-[(1R)-ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxo-, (1beta,3beta,5beta,11alpha)-

Formula: C26H30O9  |  Mol. Weight: 486.50 g/mol

IUPAC: (1S,4R,5S,8R,9R,11S,12S,13R,14R,16R,18S)-5,11-dihydroxy-9,16-dimethyl-10-oxo-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde

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Overview

Molecular Formula C26H30O9
Molecular Weight 486.50 g/mol
Canonical SMILES CC12C(CCC1(C3CCC45CC6CC(C4(C3C(C2=O)O)C=O)OC(O6)(O5)C)O)C7=COC(=O)C=C7

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy