| SpectraBase Compound ID | 4YuvE36kxkP |
|---|---|
| InChI | InChI=1S/C40H45N6O9PS/c1-26(2)23-51-39(48)45-38-43-36-35(37(47)44-38)42-25-46(36)34-22-32(55-56(5,57)53-21-9-20-41)33(54-34)24-52-40(27-10-7-6-8-11-27,28-12-16-30(49-3)17-13-28)29-14-18-31(50-4)19-15-29/h6-8,10-19,25-26,32-34H,9,21-24H2,1-5H3,(H2,43,44,45,47,48)/t32-,33+,34+,56?/m1/s1 |
| InChIKey | BXQUWBGQBHBNHX-SCXHRVRGSA-N |
| Mol Weight | 816.9 g/mol |
| Molecular Formula | C40H45N6O9PS |
| Exact Mass | 816.270635 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiQqpe2Fxw2 |
|---|---|
| Name | R=CH2CH2CN) |
| Compound Number | FAST_RP-5-(B=G_IBU |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H45N6O9PS |
| InChI | InChI=1S/C40H45N6O9PS/c1-26(2)23-51-39(48)45-38-43-36-35(37(47)44-38)42-25-46(36)34-22-32(55-56(5,57)53-21-9-20-41)33(54-34)24-52-40(27-10-7-6-8-11-27,28-12-16-30(49-3)17-13-28)29-14-18-31(50-4)19-15-29/h6-8,10-19,25-26,32-34H,9,21-24H2,1-5H3,(H2,43,44,45,47,48)/t32-,33+,34+,56?/m1/s1 |
| InChIKey | BXQUWBGQBHBNHX-SCXHRVRGSA-N |
| 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 | CDCl3 |
| Source File Reference | UWMZ27136 |