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(6S*,11AS*)-6-(ACETAMIDO-METHYL)-8-METHOXY-2,9-DIMETHYL-1,4-DIOXO-2,3,4,6,11,11A-HEXAHYDRO-1H-PYRAZINO-[1,2-B]-ISOQUINOLINE-7,10-DIYL-DIACETATE
SpectraBase Compound ID hRyEQAwPdQ
InChI InChI=1S/C22H27N3O8/c1-10-19(32-12(3)27)14-7-15-22(30)24(5)9-17(29)25(15)16(8-23-11(2)26)18(14)21(20(10)31-6)33-13(4)28/h15-16H,7-9H2,1-6H3,(H,23,26)/t15-,16+/m0/s1
InChIKey KAWLFXVQEKHDCD-JKSUJKDBSA-N
Mol Weight 461.47 g/mol
Molecular Formula C22H27N3O8
Exact Mass 461.179815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cLqm1p4n2T
Name (6S*,11AS*)-6-(ACETAMIDO-METHYL)-8-METHOXY-2,9-DIMETHYL-1,4-DIOXO-2,3,4,6,11,11A-HEXAHYDRO-1H-PYRAZINO-[1,2-B]-ISOQUINOLINE-7,10-DIYL-DIACETATE
Compound Number 36
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27N3O8
InChI InChI=1S/C22H27N3O8/c1-10-19(32-12(3)27)14-7-15-22(30)24(5)9-17(29)25(15)16(8-23-11(2)26)18(14)21(20(10)31-6)33-13(4)28/h15-16H,7-9H2,1-6H3,(H,23,26)/t15-,16+/m0/s1
InChIKey KAWLFXVQEKHDCD-JKSUJKDBSA-N
Literature Reference Author K.NAKAI,M.YOKOYA,N.SAITO
Literature Reference Citation CHEM.PHARM.BULL.,61,853(2013)
Literature Reference DOI 10.1248/cpb.c13-00361
Molecular Weight 461.472 g/mol
Source File Reference UWIR4025