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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038271

[(1S,4R,5S,6R,8R,9R,10R,13S,14R,15S,19R,22R)-22-acetyloxy-5-hydroxy-10,17-dimethyl-9-(6-oxopyran-3-yl)-7,16,18,21-tetraoxaheptacyclo[15.3.1.115,19.01,14.04,13.05,10.06,8]docosan-14-yl]methyl acetate

Formula: C30H36O11  |  Mol. Weight: 572.60 g/mol

IUPAC: [(1S,4R,5S,6R,8R,9R,10R,13S,14R,15S,19R,22R)-22-acetyloxy-5-hydroxy-10,17-dimethyl-9-(6-oxopyran-3-yl)-7,16,18,21-tetraoxaheptacyclo[15.3.1.115,19.01,14.04,13.05,10.06,8]docosan-14-yl]methyl acetate

Overview

Molecular Formula C30H36O11
Molecular Weight 572.60 g/mol
Canonical SMILES CC(=O)OCC12C3CCC4(C(C5C(C4(C3CCC16CC7C(C2OC(O7)(O6)C)OC(=O)C)O)O5)C8=COC(=O)C=C8)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy