| 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
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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 |