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(3S,4R,4AS,10AR)-8-ACETAMIDO-5-ACETYL-3,4,4A,5,6,7,10,10A-OCTAHYDRO-6-OXO-2H-PYRANO-[3,2-G]-PTERIDIN-3,4-DIYL-DIACETATE
SpectraBase Compound ID JJ10PXvdb7u
InChI InChI=1S/C17H21N5O8/c1-6(23)18-17-20-14-12(15(27)21-17)22(7(2)24)11-13(30-9(4)26)10(29-8(3)25)5-28-16(11)19-14/h10-11,13,16H,5H2,1-4H3,(H3,18,19,20,21,23,27)/t10-,11-,13-,16+/m0/s1
InChIKey TXAHEITXGZMWSP-XALPAYFRSA-N
Mol Weight 423.38 g/mol
Molecular Formula C17H21N5O8
Exact Mass 423.139013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6H5otss9aHE
Name (3S,4R,4AS,10AR)-8-ACETAMIDO-5-ACETYL-3,4,4A,5,6,7,10,10A-OCTAHYDRO-6-OXO-2H-PYRANO-[3,2-G]-PTERIDIN-3,4-DIYL-DIACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21N5O8
InChI InChI=1S/C17H21N5O8/c1-6(23)18-17-20-14-12(15(27)21-17)22(7(2)24)11-13(30-9(4)26)10(29-8(3)25)5-28-16(11)19-14/h10-11,13,16H,5H2,1-4H3,(H3,18,19,20,21,23,27)/t10-,11-,13-,16+/m0/s1
InChIKey TXAHEITXGZMWSP-XALPAYFRSA-N
Literature Reference Author R.SOYKA,W.PFLEIDERER,R.PREWO
Literature Reference Citation HELV.CHIM.ACTA,73,808(1990)
Literature Reference DOI 10.1002/hlca.19900730407
Molecular Weight 423.382 g/mol
Solvent DMSO-D6
Source File Reference UWED14644