| SpectraBase Compound ID | 2R6EyRyEF2X |
|---|---|
| InChI | InChI=1S/C38H35Br5N4O9/c1-51-35-25(41)11-21-13-29(47-54-4)38(50)45-18-30(48)22-16-26(42)34(27(43)17-22)56-33-14-20(10-24(40)36(33)52-2)7-8-44-37(49)28(46-53-3)12-19-5-6-31(23(39)9-19)55-32(35)15-21/h5-6,9-11,14-17,30,48H,7-8,12-13,18H2,1-4H3,(H,44,49)(H,45,50)/b46-28-,47-29- |
| InChIKey | YWKQHRQZKLMSJV-ZRALYFCFSA-N |
| Mol Weight | 1091.2 g/mol |
| Molecular Formula | C38H35Br5N4O9 |
| Exact Mass | 1085.832094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6qRx6xsFSxB |
|---|---|
| Name | TETRAMETHYLBASTADIN-12 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H35Br5N4O9 |
| InChI | InChI=1S/C38H35Br5N4O9/c1-51-35-25(41)11-21-13-29(47-54-4)38(50)45-18-30(48)22-16-26(42)34(27(43)17-22)56-33-14-20(10-24(40)36(33)52-2)7-8-44-37(49)28(46-53-3)12-19-5-6-31(23(39)9-19)55-32(35)15-21/h5-6,9-11,14-17,30,48H,7-8,12-13,18H2,1-4H3,(H,44,49)(H,45,50)/b46-28-,47-29- |
| InChIKey | YWKQHRQZKLMSJV-ZRALYFCFSA-N |
| Literature Reference Author | A.F.DEXTER,M.J.GARSON,M.E.HEMLING |
| Literature Reference Citation | J.NAT.PROD.,56,782(1993) |
| Literature Reference DOI | 10.1021/np50095a020 |
| Molecular Weight | 1091.237 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1297 |