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SQKQRDWAGLYROL-LRSFSBNUSA-N
SpectraBase Compound ID 4xZ0wxlQ99d
InChI InChI=1S/C57H46N5O8P/c58-57(59)61-55(63)47-13-14-48(60-47)56(64)69-62-26-11-9-25(10-12-26)15-16-68-53-49-43-23-45(41-21-37-33-17-31(35(37)19-39(41)43)27-5-1-3-7-29(27)33)51(49)54(70-71(65,66)67)52-46-24-44(50(52)53)40-20-36-32-18-34(38(36)22-42(40)46)30-8-4-2-6-28(30)32/h1-14,19-22,31-34,43-46,60,62H,15-18,23-24H2,(H2,65,66,67)(H4,58,59,61,63)/t31-,32+,33+,34-,43-,44+,45+,46-
InChIKey SQKQRDWAGLYROL-LRSFSBNUSA-N
Mol Weight 960.0 g/mol
Molecular Formula C57H46N5O8P
Exact Mass 959.3084 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2SgTOT9SD1
Name SQKQRDWAGLYROL-LRSFSBNUSA-N
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H44N5O8P
InChI InChI=1S/C57H46N5O8P/c58-57(59)61-55(63)47-13-14-48(60-47)56(64)69-62-26-11-9-25(10-12-26)15-16-68-53-49-43-23-45(41-21-37-33-17-31(35(37)19-39(41)43)27-5-1-3-7-29(27)33)51(49)54(70-71(65,66)67)52-46-24-44(50(52)53)40-20-36-32-18-34(38(36)22-42(40)46)30-8-4-2-6-28(30)32/h1-14,19-22,31-34,43-46,60,62H,15-18,23-24H2,(H2,65,66,67)(H4,58,59,61,63)/t31-,32+,33+,34-,43-,44+,45+,46-
InChIKey SQKQRDWAGLYROL-LRSFSBNUSA-N
Literature Reference Author T.GERSTHAGEN,J.HOFMANN,F.G.KLAERNER,C.SCHMUCK,T.SCHRADER
Literature Reference Citation EUR.J.ORG.CHEM.,2013,1080(2013)
Literature Reference DOI 10.1002/ejoc.201201052
Solvent DMSO-D6
Source File Reference UWBT20627