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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003191

methyl 2-[(1R,2R,6S,7R,8R,9S,10R,14R,15R,16R,17R,18R,20R)-8,18-diacetyloxy-15-(acetyloxymethyl)-6-(furan-3-yl)-9,19,20-trihydroxy-7,12,17-trimethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetate

Formula: C35H42O17  |  Mol. Weight: 734.70 g/mol

IUPAC: methyl 2-[(1R,2R,6S,7R,8R,9S,10R,14R,15R,16R,17R,18R,20R)-8,18-diacetyloxy-15-(acetyloxymethyl)-6-(furan-3-yl)-9,19,20-trihydroxy-7,12,17-trimethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetate

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Overview

Molecular Formula C35H42O17
Molecular Weight 734.70 g/mol
Canonical SMILES CC(=O)OCC12C(C3(CC14C(C3OC(=O)C)(C(C56C2(C(C(C7(C5CC(=O)OC7C8=COC=C8)C)OC(=O)C)O)OC(O4)(O6)C)O)O)C)CC(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy