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#9O;(+/-)-[6R*,11AS*,(3Z)]-6-(4-BROMOPHENYL)-7,8,10-TRIMETHOXY-9-METHYL-3-(2,4,5-TRIMETHOXY-3-METHYLBENZYLIDENE)-2,3,11,11A-TETRAHYDRO-1H-PYRAZINO-[1,2-B]-ISOQ

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#9O;(+/-)-[6R*,11AS*,(3Z)]-6-(4-BROMOPHENYL)-7,8,10-TRIMETHOXY-9-METHYL-3-(2,4,5-TRIMETHOXY-3-METHYLBENZYLIDENE)-2,3,11,11A-TETRAHYDRO-1H-PYRAZINO-[1,2-B]-ISOQ
SpectraBase Compound ID 2CbnHkPWEhC
InChI InChI=1S/C33H35BrN2O8/c1-16-27(40-4)19(14-24(39-3)29(16)42-6)13-22-33(38)36-23(32(37)35-22)15-21-25(26(36)18-9-11-20(34)12-10-18)31(44-8)30(43-7)17(2)28(21)41-5/h9-14,23,26H,15H2,1-8H3,(H,35,37)/b22-13-/t23-,26+/m0/s1
InChIKey VOSOAIQOBBMVJS-QPQLXTETSA-N
Mol Weight 667.6 g/mol
Molecular Formula C33H35BrN2O8
Exact Mass 666.157679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8r7adhY72g5
Name #9O;(+/-)-[6R*,11AS*,(3Z)]-6-(4-BROMOPHENYL)-7,8,10-TRIMETHOXY-9-METHYL-3-(2,4,5-TRIMETHOXY-3-METHYLBENZYLIDENE)-2,3,11,11A-TETRAHYDRO-1H-PYRAZINO-[1,2-B]-ISOQ
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H35BrN2O8
InChI InChI=1S/C33H35BrN2O8/c1-16-27(40-4)19(14-24(39-3)29(16)42-6)13-22-33(38)36-23(32(37)35-22)15-21-25(26(36)18-9-11-20(34)12-10-18)31(44-8)30(43-7)17(2)28(21)41-5/h9-14,23,26H,15H2,1-8H3,(H,35,37)/b22-13-/t23-,26+/m0/s1
InChIKey VOSOAIQOBBMVJS-QPQLXTETSA-N
Literature Reference Author F.J.ARROYO,P.LOPEZ-ALVARADO,A.GANESAN,J.C.MENENDEZ
Literature Reference Citation EUR.J.ORG.CHEM.,2014,5720(2014)
Literature Reference DOI 10.1002/ejoc.201402487
Molecular Weight 667.554 g/mol
Solvent CDCl3
Source File Reference UWIR20236