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(3S,4R,4AR,10AS)-5,10-DIACETYL-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,4AR,10AS)-5,10-DIACETYL-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 9ijj9g0kh0x
InChI InChI=1S/C18H22N4O8S/c1-7(23)21-12-14(30-10(4)26)11(29-9(3)25)6-28-17(12)22(8(2)24)15-13(21)16(27)20-18(19-15)31-5/h11-12,14,17H,6H2,1-5H3,(H,19,20,27)/t11-,12+,14-,17-/m0/s1
InChIKey KHJPXXCTQJHLNW-IFOZYUSPSA-N
Mol Weight 454.45 g/mol
Molecular Formula C18H22N4O8S
Exact Mass 454.115835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3iqyxmtbvNq
Name (3S,4R,4AR,10AS)-5,10-DIACETYL-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 C18H22N4O8S
InChI InChI=1S/C18H22N4O8S/c1-7(23)21-12-14(30-10(4)26)11(29-9(3)25)6-28-17(12)22(8(2)24)15-13(21)16(27)20-18(19-15)31-5/h11-12,14,17H,6H2,1-5H3,(H,19,20,27)/t11-,12+,14-,17-/m0/s1
InChIKey KHJPXXCTQJHLNW-IFOZYUSPSA-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 454.455 g/mol
Solvent DMSO-D6
Source File Reference UWED14648