| SpectraBase Compound ID | ESoqZaHUesl |
|---|---|
| InChI | InChI=1S/C45H46ClN2O20P/c1-25(49)58-23-34-38(62-27(3)51)40(63-28(4)52)37(61-26(2)50)33(64-34)20-22-59-69(57,68-32-18-12-11-17-31(32)46)60-24-35-39(66-43(54)29-13-7-5-8-14-29)41(67-44(55)30-15-9-6-10-16-30)42(65-35)48-21-19-36(53)47-45(48)56/h5-19,21,33-35,37-42H,20,22-24H2,1-4H3,(H,47,53,56)/t33-,34-,35-,37+,38-,39-,40-,41-,42-,69?/m0/s1 |
| InChIKey | PXXZPQKLVNFVOA-SITNGBPDSA-N |
| Mol Weight | 1001.3 g/mol |
| Molecular Formula | C45H46ClN2O20P |
| Exact Mass | 1000.207007 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErxVSlk2ZTk |
|---|---|
| Name | DIASTEREOMER-#2 |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H46ClN2O20P |
| InChI | InChI=1S/C45H46ClN2O20P/c1-25(49)58-23-34-38(62-27(3)51)40(63-28(4)52)37(61-26(2)50)33(64-34)20-22-59-69(57,68-32-18-12-11-17-31(32)46)60-24-35-39(66-43(54)29-13-7-5-8-14-29)41(67-44(55)30-15-9-6-10-16-30)42(65-35)48-21-19-36(53)47-45(48)56/h5-19,21,33-35,37-42H,20,22-24H2,1-4H3,(H,47,53,56)/t33-,34-,35-,37+,38-,39-,40-,41-,42-,69?/m0/s1 |
| InChIKey | PXXZPQKLVNFVOA-SITNGBPDSA-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 | UWRK150151 |