| SpectraBase Compound ID | HyjmgfQnZOW |
|---|---|
| InChI | InChI=1S/C38H36Br4N4O8/c1-49-32-8-6-22-10-12-44-38(48)30(46-52-4)18-24-16-28(42)36(50-2)34(20-24)54-35-26(40)14-23(15-27(35)41)17-29(45-51-3)37(47)43-11-9-21-5-7-31(25(39)13-21)53-33(32)19-22/h5-8,13-16,19-20H,9-12,17-18H2,1-4H3,(H,43,47)(H,44,48)/b45-29+,46-30+ |
| InChIKey | HSRKRNOBWBHQGY-PGZMIIDGSA-N |
| Mol Weight | 996.3 g/mol |
| Molecular Formula | C38H36Br4N4O8 |
| Exact Mass | 991.926666 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1Z90DsMNtIY |
|---|---|
| Name | Bastadin-12 Methyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H36Br4N4O8 |
| InChI | InChI=1S/C38H36Br4N4O8/c1-49-32-8-6-22-10-12-44-38(48)30(46-52-4)18-24-16-28(42)36(50-2)34(20-24)54-35-26(40)14-23(15-27(35)41)17-29(45-51-3)37(47)43-11-9-21-5-7-31(25(39)13-21)53-33(32)19-22/h5-8,13-16,19-20H,9-12,17-18H2,1-4H3,(H,43,47)(H,44,48)/b45-29+,46-30+ |
| InChIKey | HSRKRNOBWBHQGY-PGZMIIDGSA-N |
| Molecular Weight | 996.342 g/mol |
| SMILES | N1CCc2ccc(Oc3cc(CCNC(\C(Cc4cc(Oc5c(cc(cc5Br)C\C(C1=O)=N/OC)Br)c(c(Br)c4)OC)=N\OC)=O)ccc3OC)c(c2)Br |
| SPLASH | splash10-001i-0009120002-1f587989afe0a69652a8 |
| Source of Spectrum | B-44-287-0 |
| Synonyms | (12E,25E)-16,21,32,36-tetrabromo-4,17-dimethoxy-12,25-bis(methoxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.2(20,23).1(3,7).1(14,18)]octatriaconta-1(32),3(38),4,6,14,16,18(37),20,22,30,33,35-dodecaene-11,26-dione bastadin-12 methyl ether |
| Wiley ID | 1418366 |