| SpectraBase Compound ID | KmkOPWbtYyE |
|---|---|
| InChI | InChI=1S/C31H30Br6N4O9/c1-46-24-17(34)10-30(26(42)21(24)36)12-19(40-49-30)28(44)38-5-3-7-48-23-15(32)8-14(9-16(23)33)4-6-39-29(45)20-13-31(50-41-20)11-18(35)25(47-2)22(37)27(31)43/h8-11,26-27,42-43H,3-7,12-13H2,1-2H3,(H,38,44)(H,39,45)/t26-,27-,30+,31+/m0/s1 |
| InChIKey | SYYVXQOWLOEXDU-TUXGATLDSA-N |
| Mol Weight | 1082.02 g/mol |
| Molecular Formula | C31H30Br6N4O9 |
| Exact Mass | 1075.711307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jo34cccpUjz |
|---|---|
| Name | 11,19-DIDEOXY-FISTULARIN-3 |
| Compound Number | 33 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H30Br6N4O9 |
| InChI | InChI=1S/C31H30Br6N4O9/c1-46-24-17(34)10-30(26(42)21(24)36)12-19(40-49-30)28(44)38-5-3-7-48-23-15(32)8-14(9-16(23)33)4-6-39-29(45)20-13-31(50-41-20)11-18(35)25(47-2)22(37)27(31)43/h8-11,26-27,42-43H,3-7,12-13H2,1-2H3,(H,38,44)(H,39,45)/t26-,27-,30+,31+/m0/s1 |
| InChIKey | SYYVXQOWLOEXDU-TUXGATLDSA-N |
| Literature Reference Author | N.S.LIRA,R.C.MONTES,J.F.TAVARES,M.S.D.SILVA,E.V.L.D.CUNHA,P. F.D.ATHAYDE-FILHO |
| Literature Reference Citation | MAR.DRUGS,9,2316(2011) |
| Literature Reference DOI | 10.3390/md9112316 |
| Molecular Weight | 1082.025 g/mol |
| Source File Reference | UWBT6905 |