| SpectraBase Compound ID | 5B1N8fdcTbE |
|---|---|
| InChI | InChI=1S/C34H30Br4N4O11S.Na/c35-23-11-17(1-3-29(23)43)5-7-39-33(46)27(41-48)15-19-9-21(31(44)25(37)13-19)22-10-20(14-26(38)32(22)45)16-28(42-49)34(47)40-8-6-18-2-4-30(24(36)12-18)53-54(50,51)52;/h1-4,9-14,43-45,48-49H,5-8,15-16H2,(H,39,46)(H,40,47)(H,50,51,52);/q;+1/p-1/b41-27-,42-28+; |
| InChIKey | OUJVWDFBMNSRJV-BKMKYDPLSA-M |
| Mol Weight | 1044.3 g/mol |
| Molecular Formula | C34H29Br4N4NaO11S |
| Exact Mass | 1039.818475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjjKnsivLCp |
|---|---|
| Name | 10-SULFATOBASTADIN-3 |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H27Br4N4NaO11S |
| InChI | InChI=1S/C34H30Br4N4O11S.Na/c35-23-11-17(1-3-29(23)43)5-7-39-33(46)27(41-48)15-19-9-21(31(44)25(37)13-19)22-10-20(14-26(38)32(22)45)16-28(42-49)34(47)40-8-6-18-2-4-30(24(36)12-18)53-54(50,51)52;/h1-4,9-14,43-45,48-49H,5-8,15-16H2,(H,39,46)(H,40,47)(H,50,51,52);/q;+1/p-1/b41-27-,42-28+; |
| InChIKey | OUJVWDFBMNSRJV-BKMKYDPLSA-M |
| Literature Reference Author | M.A.FRANKLIN,S.G.PENN,C.B.LEBRILLA,T.H.LAM,I.N.PESSAH,T.F.MO LINSKI |
| Literature Reference Citation | J.NAT.PROD.,59,1121(1996) |
| Literature Reference DOI | 10.1021/np960507g |
| Molecular Weight | 1042.274 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP74 |