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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038503

[(1S)-1-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-11-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-16-yl]-2-methoxy-2-oxoethyl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Formula: C47H48F6O13  |  Mol. Weight: 934.90 g/mol

IUPAC: [(1S)-1-[(1S,2R,5R,6R,10R,11S,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-11-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-16-yl]-2-methoxy-2-oxoethyl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

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Overview

Molecular Formula C47H48F6O13
Molecular Weight 934.90 g/mol
Canonical SMILES CC1(C(C2(C3CCC4(C(C3(CC(C1=O)C2=O)OC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC)CC(=O)OC4C6=COC=C6)C)C)C(C(=O)OC)OC(=O)C(C7=CC=CC=C7)(C(F)(F)F)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy