| SpectraBase Compound ID | BZ6myDG5khS |
|---|---|
| InChI | InChI=1S/C35H49N8O9P/c1-22(44)40-29(18-23-10-4-2-5-11-23)34(48)43-30(19-24-12-6-3-7-13-24)33(47)41-26(21-52-53(49,50)51)20-25-14-8-15-27(25)32(46)42-28(31(36)45)16-9-17-39-35(37)38/h2-7,10-13,20,26-30H,8-9,14-19,21H2,1H3,(H2,36,45)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,37,38,39)(H2,49,50,51)/b25-20+/t26-,27-,28?,29-,30-/m1/s1 |
| InChIKey | PIHUBYDDBLUDDL-UMSSFUFVSA-N |
| Mol Weight | 756.8 g/mol |
| Molecular Formula | C35H49N8O9P |
| Exact Mass | 756.336012 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1fVvZ4QWLw |
|---|---|
| Name | PIHUBYDDBLUDDL-UMSSFUFVSA-N |
| Compound Number | (TRANS)-#2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H47N8O9P |
| InChI | InChI=1S/C35H49N8O9P/c1-22(44)40-29(18-23-10-4-2-5-11-23)34(48)43-30(19-24-12-6-3-7-13-24)33(47)41-26(21-52-53(49,50)51)20-25-14-8-15-27(25)32(46)42-28(31(36)45)16-9-17-39-35(37)38/h2-7,10-13,20,26-30H,8-9,14-19,21H2,1H3,(H2,36,45)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,37,38,39)(H2,49,50,51)/b25-20+/t26-,27-,28?,29-,30-/m1/s1 |
| InChIKey | PIHUBYDDBLUDDL-UMSSFUFVSA-N |
| Literature Reference Author | X.J.WANG,B.XU,A.B.MULLINS,F.K.NEILER,F.A.ETZKORN |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,15533(2004) |
| Literature Reference DOI | 10.1021/ja046396m |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU34980 |