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

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#9P;(+/-)-[6R*,11AS*,(3Z)]-7,8,10-TRIMETHOXY-9-METHYL-6-(3-NITROPHENYL)-3-(2,4,5-TRIMETHOXY-3-METHYLBENZYLIDENE)-2,3,11,11A-TETRAHYDRO-6H-PYRAZINO-[1,2-B]-ISOQ
SpectraBase Compound ID KiTIJGEBr3
InChI InChI=1S/2C33H35N3O10/c2*1-16-27(42-4)19(14-24(41-3)29(16)44-6)13-22-33(38)35-23(32(37)34-22)15-21-25(26(35)18-10-9-11-20(12-18)36(39)40)31(46-8)30(45-7)17(2)28(21)43-5/h2*9-14,23,26H,15H2,1-8H3,(H,34,37)/b2*22-13-/t2*23-,26+/m00/s1
InChIKey BTGZFPSFHXRODN-WQVOCWPOSA-N
Mol Weight 1267.3 g/mol
Molecular Formula C66H70N6O20
Exact Mass 1266.464489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lw224CiTd0a
Name #9P;(+/-)-[6R*,11AS*,(3Z)]-7,8,10-TRIMETHOXY-9-METHYL-6-(3-NITROPHENYL)-3-(2,4,5-TRIMETHOXY-3-METHYLBENZYLIDENE)-2,3,11,11A-TETRAHYDRO-6H-PYRAZINO-[1,2-B]-ISOQ
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H70N6O20
InChI InChI=1S/2C33H35N3O10/c2*1-16-27(42-4)19(14-24(41-3)29(16)44-6)13-22-33(38)35-23(32(37)34-22)15-21-25(26(35)18-10-9-11-20(12-18)36(39)40)31(46-8)30(45-7)17(2)28(21)43-5/h2*9-14,23,26H,15H2,1-8H3,(H,34,37)/b2*22-13-/t2*23-,26+/m00/s1
InChIKey BTGZFPSFHXRODN-WQVOCWPOSA-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 1267.310 g/mol
Solvent CDCl3
Source File Reference UWIR20237