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#42;(1R*,5S*,8S*)-8-(2-[3-METHYL-2,5-DIOXOPYRROLIDIN-1-YL]-BENZOYL)-3-(3-PHENYLPROPYL)-3-AZABICYCLO-[3.2.1]-OCT-1-YLMETHYL-2-(3-METHYL-2,5-DIOXOPYRROLIDIN-1-YL
SpectraBase Compound ID BuaL9Ye0I2U
InChI InChI=1S/C41H43N3O8/c1-26-21-34(45)43(37(26)47)32-16-8-6-14-30(32)39(49)51-25-41-19-18-29(23-42(24-41)20-10-13-28-11-4-3-5-12-28)36(41)52-40(50)31-15-7-9-17-33(31)44-35(46)22-27(2)38(44)48/h3-9,11-12,14-17,26-27,29,36H,10,13,18-25H2,1-2H3/t26?,27?,29-,36+,41-/m1/s1
InChIKey SCMZYHDXUJQGFN-VIAHYTIZSA-N
Mol Weight 705.8 g/mol
Molecular Formula C41H43N3O8
Exact Mass 705.305015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5M8RBaNwZ6U
Name #42;(1R*,5S*,8S*)-8-(2-[3-METHYL-2,5-DIOXOPYRROLIDIN-1-YL]-BENZOYL)-3-(3-PHENYLPROPYL)-3-AZABICYCLO-[3.2.1]-OCT-1-YLMETHYL-2-(3-METHYL-2,5-DIOXOPYRROLIDIN-1-YL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H43N3O8
InChI InChI=1S/C41H43N3O8/c1-26-21-34(45)43(37(26)47)32-16-8-6-14-30(32)39(49)51-25-41-19-18-29(23-42(24-41)20-10-13-28-11-4-3-5-12-28)36(41)52-40(50)31-15-7-9-17-33(31)44-35(46)22-27(2)38(44)48/h3-9,11-12,14-17,26-27,29,36H,10,13,18-25H2,1-2H3/t26?,27?,29-,36+,41-/m1/s1
InChIKey SCMZYHDXUJQGFN-VIAHYTIZSA-N
Literature Reference Author M.A.BRIMBLE,C.BROCKE
Literature Reference Citation EUR.J.ORG.CHEM.,2385(2005)
Molecular Weight 705.808 g/mol
Sample ID 39447
Solvent CDCl3