| SpectraBase Compound ID | ChoZXLdirlu |
|---|---|
| InChI | InChI=1S/C53H46N5O8P.Na/c54-53(55)58-52(60)44-10-9-43(57-44)51(59)56-11-12-64-13-14-65-49-45-39-21-41(37-19-33-29-15-27(31(33)17-35(37)39)23-5-1-3-7-25(23)29)47(45)50(66-67(61,62)63)48-42-22-40(46(48)49)36-18-32-28-16-30(34(32)20-38(36)42)26-8-4-2-6-24(26)28;/h1-10,17-20,27-30,39-42,57H,11-16,21-22H2,(H,56,59)(H2,61,62,63)(H4,54,55,58,60);/q;+2/p-2/t27-,28+,29+,30-,39-,40+,41+,42-; |
| InChIKey | YZVBFXLLUPZHFI-ALRXWVQYSA-L |
| Mol Weight | 932.9 g/mol |
| Molecular Formula | C53H44N5NaO8P |
| Exact Mass | 932.28252 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBWubCCOWq2 |
|---|---|
| Name | SODIUM-SALT |
| Compound Number | 15A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H44N5NaO8P |
| InChI | InChI=1S/C53H46N5O8P.Na/c54-53(55)58-52(60)44-10-9-43(57-44)51(59)56-11-12-64-13-14-65-49-45-39-21-41(37-19-33-29-15-27(31(33)17-35(37)39)23-5-1-3-7-25(23)29)47(45)50(66-67(61,62)63)48-42-22-40(46(48)49)36-18-32-28-16-30(34(32)20-38(36)42)26-8-4-2-6-24(26)28;/h1-10,17-20,27-30,39-42,57H,11-16,21-22H2,(H,56,59)(H2,61,62,63)(H4,54,55,58,60);/q;+2/p-2/t27-,28+,29+,30-,39-,40+,41+,42-; |
| InChIKey | YZVBFXLLUPZHFI-ALRXWVQYSA-L |
| 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 | UWBT20608 |