| SpectraBase Compound ID | 8ExNx2HiwPP |
|---|---|
| InChI | InChI=1S/C40H45N2O18PS/c1-22(43)51-20-29-33(55-24(3)45)35(56-25(4)46)32(54-23(2)44)28(57-29)17-19-52-61(5,62)53-21-30-34(59-38(48)26-12-8-6-9-13-26)36(60-39(49)27-14-10-7-11-15-27)37(58-30)42-18-16-31(47)41-40(42)50/h6-16,18,28-30,32-37H,17,19-21H2,1-5H3,(H,41,47,50)/t28-,29-,30-,32+,33-,34-,35-,36-,37-,61?/m0/s1 |
| InChIKey | PXQCDUYHNSUBAL-PLEMSKDWSA-N |
| Mol Weight | 904.8 g/mol |
| Molecular Formula | C40H45N2O18PS |
| Exact Mass | 904.212571 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5g1zktfsJsX |
|---|---|
| Name | PXQCDUYHNSUBAL-PLEMSKDWSA-N |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H45N2O18PS |
| InChI | InChI=1S/C40H45N2O18PS/c1-22(43)51-20-29-33(55-24(3)45)35(56-25(4)46)32(54-23(2)44)28(57-29)17-19-52-61(5,62)53-21-30-34(59-38(48)26-12-8-6-9-13-26)36(60-39(49)27-14-10-7-11-15-27)37(58-30)42-18-16-31(47)41-40(42)50/h6-16,18,28-30,32-37H,17,19-21H2,1-5H3,(H,41,47,50)/t28-,29-,30-,32+,33-,34-,35-,36-,37-,61?/m0/s1 |
| InChIKey | PXQCDUYHNSUBAL-PLEMSKDWSA-N |
| Literature Reference Author | H.J.G.BROXTERMAN,P.A.KOOREMAN,H.VANDENELST,H.C.P.F.ROELEN,G. A.VANDERMAREL,J.H.VA |
| Literature Reference Citation | REC.TR.CH.P.-B.,109,583(1990) |
| Literature Reference DOI | 10.1002/recl.19901091204 |
| Solvent | CDCl3 |
| Source File Reference | UWTS2012 |