| SpectraBase Compound ID | BB1gszhcbUR |
|---|---|
| InChI | InChI=1S/C36H51N8O9P/c1-23(45)41-30(19-24-11-5-3-6-12-24)35(49)44-31(20-25-13-7-4-8-14-25)34(48)42-27(22-53-54(50,51)52)21-26-15-9-16-28(26)32(46)43-29(33(47)39-2)17-10-18-40-36(37)38/h3-8,11-14,21,27-31H,9-10,15-20,22H2,1-2H3,(H,39,47)(H,41,45)(H,42,48)(H,43,46)(H,44,49)(H4,37,38,40)(H2,50,51,52)/b26-21+/t27-,28-,29?,30-,31-/m1/s1 |
| InChIKey | FXIJBSVVXODCFG-NZUXSNNWSA-N |
| Mol Weight | 770.8 g/mol |
| Molecular Formula | C36H51N8O9P |
| Exact Mass | 770.351662 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Br1fNA7AgaW |
|---|---|
| Name | FXIJBSVVXODCFG-NZUXSNNWSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H49N8O9P |
| InChI | InChI=1S/C36H51N8O9P/c1-23(45)41-30(19-24-11-5-3-6-12-24)35(49)44-31(20-25-13-7-4-8-14-25)34(48)42-27(22-53-54(50,51)52)21-26-15-9-16-28(26)32(46)43-29(33(47)39-2)17-10-18-40-36(37)38/h3-8,11-14,21,27-31H,9-10,15-20,22H2,1-2H3,(H,39,47)(H,41,45)(H,42,48)(H,43,46)(H,44,49)(H4,37,38,40)(H2,50,51,52)/b26-21+/t27-,28-,29?,30-,31-/m1/s1 |
| InChIKey | FXIJBSVVXODCFG-NZUXSNNWSA-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 | UWLU34982 |