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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004141

(1R,2S,5R,8S,9R,14S,16R,17S,18R,21R,24R,26S,27R)-5,14,16-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone

Formula: C28H32O11  |  Mol. Weight: 544.50 g/mol

IUPAC: (1R,2S,5R,8S,9R,14S,16R,17S,18R,21R,24R,26S,27R)-5,14,16-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone

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Overview

Molecular Formula C28H32O11
Molecular Weight 544.50 g/mol
Canonical SMILES CC12CC3C4(C56C1C(=O)C(O5)(C7C(CCC6(C(=O)O4)O)C8(C(=O)C=CCC8(CC7O)O)C)OCC2C(=O)O3)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy