| SpectraBase Compound ID | J10o2ye0DN5 |
|---|---|
| InChI | InChI=1S/C47H50N7O6P/c1-30(2)54(31(3)4)61(57-27-13-26-48)60-38-28-39-53-44-40(43(49-29-50-44)52-46(55)33-14-9-7-10-15-33)51-45(53)42(41(38)58-39)59-47(34-16-11-8-12-17-34,35-20-18-32(5)19-21-35)36-22-24-37(56-6)25-23-36/h7-12,14-25,29-31,38-39,41-42H,13,27-28H2,1-6H3,(H,49,50,52,55)/t38-,39+,41-,42+,47?,61?/m0/s1 |
| InChIKey | KIRCGPQESFICOY-ORMGMFKYSA-N |
| Mol Weight | 839.9 g/mol |
| Molecular Formula | C47H50N7O6P |
| Exact Mass | 839.356019 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9iyjjyaf6sT |
|---|---|
| Name | KIRCGPQESFICOY-ORMGMFKYSA-N |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H50N7O6P |
| InChI | InChI=1S/C47H50N7O6P/c1-30(2)54(31(3)4)61(57-27-13-26-48)60-38-28-39-53-44-40(43(49-29-50-44)52-46(55)33-14-9-7-10-15-33)51-45(53)42(41(38)58-39)59-47(34-16-11-8-12-17-34,35-20-18-32(5)19-21-35)36-22-24-37(56-6)25-23-36/h7-12,14-25,29-31,38-39,41-42H,13,27-28H2,1-6H3,(H,49,50,52,55)/t38-,39+,41-,42+,47?,61?/m0/s1 |
| InChIKey | KIRCGPQESFICOY-ORMGMFKYSA-N |
| Literature Reference Author | A.ROMIEU,D.GASPARUTTO,D.MOLKO,J.CADET |
| Literature Reference Citation | J.ORG.CHEM.,63,5245(1998) |
| Literature Reference DOI | 10.1021/jo980083q |
| Solvent | ACETONE-D6 |
| Source File Reference | UWSI28579 |