| SpectraBase Compound ID | FkHujXYknZp |
|---|---|
| InChI | InChI=1S/C31H30Br6N4O9/c1-13(12-39-29(46)20-11-30(49-41-20)8-17(34)23(42)21(36)26(30)43)14-6-15(32)24(16(33)7-14)48-5-3-4-38-28(45)19-10-31(50-40-19)9-18(35)25(47-2)22(37)27(31)44/h6-9,13,26-27,42-44H,3-5,10-12H2,1-2H3,(H,38,45)(H,39,46) |
| InChIKey | CMAUZSFNLKVOJH-UHFFFAOYSA-N |
| Mol Weight | 1082.02 g/mol |
| Molecular Formula | C31H30Br6N4O9 |
| Exact Mass | 1075.711307 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Ovk1xXkNDl |
|---|---|
| Name | 11,19-Dideoxy-Fistularin 3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H30Br6N4O9 |
| InChI | InChI=1S/C31H30Br6N4O9/c1-13(12-39-29(46)20-11-30(49-41-20)8-17(34)23(42)21(36)26(30)43)14-6-15(32)24(16(33)7-14)48-5-3-4-38-28(45)19-10-31(50-40-19)9-18(35)25(47-2)22(37)27(31)44/h6-9,13,26-27,42-44H,3-5,10-12H2,1-2H3,(H,38,45)(H,39,46) |
| InChIKey | CMAUZSFNLKVOJH-UHFFFAOYSA-N |
| Molecular Weight | 1082.024 g/mol |
| SMILES | OC1C(=C(C(=CC11CC(C(NCC(c2cc(c(OCCCNC(C=3CC4(C=C(C(=C(C4O)Br)OC)Br)ON3)=O)c(c2)Br)Br)C)=O)=NO1)Br)O)Br |
| SPLASH | splash10-03xu-0190005200-088c221b57306fe267e9 |
| Source of Spectrum | X2-53-620-3 |
| Wiley ID | 1603584 |