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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020557

Cinobufaginol

Formula: C26H34O7  |  Mol. Weight: 458.50 g/mol

IUPAC: [(1R,2S,4R,5R,6R,7R,10S,11R,14S,16R)-14-hydroxy-11-(hydroxymethyl)-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate

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Overview

Molecular Formula C26H34O7
Molecular Weight 458.50 g/mol
Canonical SMILES CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)O)CO)C)C6=COC(=O)C=C6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy