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5H,10H-3(R),5(R),15B(S),16(R),17(R)-13-FLUORO-16,17-DIHYDROXY-3,5-ETHANO-2,3,7,8-TETRAHYDRO-[1,5,3]-DIOXAZEPINO-[3,2-C]-INDOLO-[3,2-G]-PTERIDIN-7-ONE

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5H,10H-3(R),5(R),15B(S),16(R),17(R)-13-FLUORO-16,17-DIHYDROXY-3,5-ETHANO-2,3,7,8-TETRAHYDRO-[1,5,3]-DIOXAZEPINO-[3,2-C]-INDOLO-[3,2-G]-PTERIDIN-7-ONE
SpectraBase Compound ID Ltzbd5YpYf9
InChI InChI=1S/C17H14FN5O5/c18-5-1-2-7-6(3-5)9-13(19-7)21-14-10(20-9)15-23(17(26)22-14)16-12(25)11(24)8(28-16)4-27-15/h1-3,8,11-12,15-16,24-25H,4H2,(H2,19,21,22,26)/t8-,11-,12-,15+,16-/m1/s1
InChIKey LAVIFMRDTJVIKJ-KJUOQSRUSA-N
Mol Weight 387.33 g/mol
Molecular Formula C17H14FN5O5
Exact Mass 387.097897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4uw1OSVuiY
Name 5H,10H-3(R),5(R),15B(S),16(R),17(R)-13-FLUORO-16,17-DIHYDROXY-3,5-ETHANO-2,3,7,8-TETRAHYDRO-[1,5,3]-DIOXAZEPINO-[3,2-C]-INDOLO-[3,2-G]-PTERIDIN-7-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14FN5O5
InChI InChI=1S/C17H14FN5O5/c18-5-1-2-7-6(3-5)9-13(19-7)21-14-10(20-9)15-23(17(26)22-14)16-12(25)11(24)8(28-16)4-27-15/h1-3,8,11-12,15-16,24-25H,4H2,(H2,19,21,22,26)/t8-,11-,12-,15+,16-/m1/s1
InChIKey LAVIFMRDTJVIKJ-KJUOQSRUSA-N
Literature Reference Author P.GE,T.I.KALMAN
Literature Reference Citation J.HETCYCL.CHEM.,35,257(1998)
Literature Reference DOI 10.1002/jhet.5570350145
Molecular Weight 387.327 g/mol
Solvent DMSO-D6
Source File Reference UWCS25061