| SpectraBase Compound ID | BJZW6FYamTy |
|---|---|
| InChI | InChI=1S/C31H30Br6N4O10/c1-47-24-16(34)8-30(26(43)21(24)36)10-18(40-50-30)28(45)38-4-3-5-49-23-14(32)6-13(7-15(23)33)20(42)12-39-29(46)19-11-31(51-41-19)9-17(35)25(48-2)22(37)27(31)44/h6-9,20,26-27,42-44H,3-5,10-12H2,1-2H3,(H,38,45)(H,39,46)/t20?,26-,27+,30+,31-/m0/s1 |
| InChIKey | KBSNOPQUQMZRHZ-BCUNMAEHSA-N |
| Mol Weight | 1098.02 g/mol |
| Molecular Formula | C31H30Br6N4O10 |
| Exact Mass | 1091.706221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZXypo1kING |
|---|---|
| Name | 11-DEOXY-FISTULARIN-3 |
| Compound Number | 45 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H30Br6N4O10 |
| InChI | InChI=1S/C31H30Br6N4O10/c1-47-24-16(34)8-30(26(43)21(24)36)10-18(40-50-30)28(45)38-4-3-5-49-23-14(32)6-13(7-15(23)33)20(42)12-39-29(46)19-11-31(51-41-19)9-17(35)25(48-2)22(37)27(31)44/h6-9,20,26-27,42-44H,3-5,10-12H2,1-2H3,(H,38,45)(H,39,46)/t20?,26-,27+,30+,31-/m0/s1 |
| InChIKey | KBSNOPQUQMZRHZ-BCUNMAEHSA-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 | 1098.024 g/mol |
| Source File Reference | UWBT6917 |