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(3S,4R,4AS,10AR)-5-ACETYL-3,4,4A,5,6,7,10,10A-OCTAHYDRO-8-(METHYLTHIO)-6-OXO-2H-PYRANO-[3,2-G]-PTERIDIN-3,4-DIYL-DIACETATE

View entire compound with spectra: 1 NMR

(3S,4R,4AS,10AR)-5-ACETYL-3,4,4A,5,6,7,10,10A-OCTAHYDRO-8-(METHYLTHIO)-6-OXO-2H-PYRANO-[3,2-G]-PTERIDIN-3,4-DIYL-DIACETATE
SpectraBase Compound ID 2RV9QELMnsW
InChI InChI=1S/C16H20N4O7S/c1-6(21)20-10-12(27-8(3)23)9(26-7(2)22)5-25-15(10)17-13-11(20)14(24)19-16(18-13)28-4/h9-10,12,15H,5H2,1-4H3,(H2,17,18,19,24)/t9-,10-,12-,15+/m0/s1
InChIKey CCXKCTQXUVYKDZ-PCVQNBPASA-N
Mol Weight 412.42 g/mol
Molecular Formula C16H20N4O7S
Exact Mass 412.10527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dIAoxtTEyP
Name (3S,4R,4AS,10AR)-5-ACETYL-3,4,4A,5,6,7,10,10A-OCTAHYDRO-8-(METHYLTHIO)-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 C16H20N4O7S
InChI InChI=1S/C16H20N4O7S/c1-6(21)20-10-12(27-8(3)23)9(26-7(2)22)5-25-15(10)17-13-11(20)14(24)19-16(18-13)28-4/h9-10,12,15H,5H2,1-4H3,(H2,17,18,19,24)/t9-,10-,12-,15+/m0/s1
InChIKey CCXKCTQXUVYKDZ-PCVQNBPASA-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 412.417 g/mol
Solvent DMSO-D6
Source File Reference UWED14642