| SpectraBase Compound ID | 6vUiQzqBP3a |
|---|---|
| InChI | InChI=1S/C37H42N5O9PS.Na/c1-23(2)20-48-36(44)41-35-39-33-32(34(43)40-35)38-22-42(33)31-19-29(51-52(5,45)53)30(50-31)21-49-37(24-9-7-6-8-10-24,25-11-15-27(46-3)16-12-25)26-13-17-28(47-4)18-14-26;/h6-18,22-23,29-31H,19-21H2,1-5H3,(H,45,53)(H2,39,40,41,43,44);/q;+1/p-1/t29-,30+,31+,52?;/m1./s1 |
| InChIKey | UCFBZSHPMZDJCN-HALUAEONSA-M |
| Mol Weight | 785.8 g/mol |
| Molecular Formula | C37H41N5NaO9PS |
| Exact Mass | 785.22603 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nN2P1cQbz8 |
|---|---|
| Name | UCFBZSHPMZDJCN-HALUAEONSA-M |
| Compound Number | SLOW_RP-6-(B=G_IBU)-SODIUM_SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H41N5NaO9PS |
| InChI | InChI=1S/C37H42N5O9PS.Na/c1-23(2)20-48-36(44)41-35-39-33-32(34(43)40-35)38-22-42(33)31-19-29(51-52(5,45)53)30(50-31)21-49-37(24-9-7-6-8-10-24,25-11-15-27(46-3)16-12-25)26-13-17-28(47-4)18-14-26;/h6-18,22-23,29-31H,19-21H2,1-5H3,(H,45,53)(H2,39,40,41,43,44);/q;+1/p-1/t29-,30+,31+,52?;/m1./s1 |
| InChIKey | UCFBZSHPMZDJCN-HALUAEONSA-M |
| Literature Reference Author | L.A.WOZNIAK,A.CHWOROS,J.PYZOWSKI,W.J.STEC |
| Literature Reference Citation | J.ORG.CHEM.,63,9109(1998) |
| Literature Reference DOI | 10.1021/jo981304v |
| Solvent | DMF:C6D6 |
| Source File Reference | UWMZ27159 |