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(3R,4S,4AS,10AR)-5-ACETYL-6-AMINO-3,4,4A,5,10,10A-HEXAHYDRO-8-(METHYLTHIO)-2H-PYRANO-[3,2-G]-PTERIDIN-3,4-DIYL-DIACETATE
SpectraBase Compound ID Ui7Bdp7glA
InChI InChI=1S/C16H21N5O6S/c1-6(22)21-10-12(27-8(3)24)9(26-7(2)23)5-25-15(10)19-14-11(21)13(17)18-16(20-14)28-4/h9-10,12,15H,5H2,1-4H3,(H3,17,18,19,20)/t9-,10+,12-,15-/m1/s1
InChIKey LHYFDSZGDONGJO-KVQFHVITSA-N
Mol Weight 411.43 g/mol
Molecular Formula C16H21N5O6S
Exact Mass 411.121255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwepTeRA8im
Name (3R,4S,4AS,10AR)-5-ACETYL-6-AMINO-3,4,4A,5,10,10A-HEXAHYDRO-8-(METHYLTHIO)-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 C16H21N5O6S
InChI InChI=1S/C16H21N5O6S/c1-6(22)21-10-12(27-8(3)24)9(26-7(2)23)5-25-15(10)19-14-11(21)13(17)18-16(20-14)28-4/h9-10,12,15H,5H2,1-4H3,(H3,17,18,19,20)/t9-,10+,12-,15-/m1/s1
InChIKey LHYFDSZGDONGJO-KVQFHVITSA-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 411.433 g/mol
Solvent DMSO-D6
Source File Reference UWED14638