| SpectraBase Compound ID | ALjY0NgKBI6 |
|---|---|
| InChI | InChI=1S/C44H46Br4N8O15S5.Na/c45-29-15-23(1-3-37(29)57)19-33(53-64)41(60)49-5-9-72-74-11-7-51-43(62)35(55-66)21-25-13-27(39(58)31(47)17-25)28-14-26(18-32(48)40(28)59)22-36(56-67)44(63)52-8-12-75-73-10-6-50-42(61)34(54-65)20-24-2-4-38(30(46)16-24)71-76(68,69)70;/h1-4,13-18,57-59,64-67H,5-12,19-22H2,(H,49,60)(H,50,61)(H,51,62)(H,52,63)(H,68,69,70);/q;+1/p-1/b53-33-,54-34-,55-35-,56-36-; |
| InChIKey | JOUWIGXGYWWIQE-RSRIHGKRSA-M |
| Mol Weight | 1428.8 g/mol |
| Molecular Formula | C44H45Br4N8NaO15S5 |
| Exact Mass | 1423.823915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 84vDOhCuN98 |
|---|---|
| Name | BI-SAPRASIN-11'-SULFATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H41Br4N8NaO15S5 |
| InChI | InChI=1S/C44H46Br4N8O15S5.Na/c45-29-15-23(1-3-37(29)57)19-33(53-64)41(60)49-5-9-72-74-11-7-51-43(62)35(55-66)21-25-13-27(39(58)31(47)17-25)28-14-26(18-32(48)40(28)59)22-36(56-67)44(63)52-8-12-75-73-10-6-50-42(61)34(54-65)20-24-2-4-38(30(46)16-24)71-76(68,69)70;/h1-4,13-18,57-59,64-67H,5-12,19-22H2,(H,49,60)(H,50,61)(H,51,62)(H,52,63)(H,68,69,70);/q;+1/p-1/b53-33-,54-34-,55-35-,56-36-; |
| InChIKey | JOUWIGXGYWWIQE-RSRIHGKRSA-M |
| Literature Reference Author | N.B.PHAM,M.S.BUTLER,R.J.QUINN |
| Literature Reference Citation | J.NAT.PROD.,63,393(2000) |
| Literature Reference DOI | 10.1021/np990335y |
| Molecular Weight | 1424.760 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU1911 |