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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009294

[(1S,2R,5S,6S,10S,11S,13S,14R,17R,18S)-6-(furan-3-yl)-13-hydroxy-18-(2-methoxy-2-oxoethyl)-1,5,11,15-tetramethyl-14-(2-methylpropanoyloxy)-8,12-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-17-yl] (2S)-2-methylbutanoate

Formula: C37H50O11  |  Mol. Weight: 670.80 g/mol

IUPAC: [(1S,2R,5S,6S,10S,11S,13S,14R,17R,18S)-6-(furan-3-yl)-13-hydroxy-18-(2-methoxy-2-oxoethyl)-1,5,11,15-tetramethyl-14-(2-methylpropanoyloxy)-8,12-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-17-yl] (2S)-2-methylbutanoate

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Overview

Molecular Formula C37H50O11
Molecular Weight 670.80 g/mol
Canonical SMILES CCC(C)C(=O)OC12CC3(C(C1(C4CCC5(C(C4(C(=O)C2(C3OC(=O)C(C)C)O)C)CC(=O)OC5C6=COC=C6)C)C)CC(=O)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy