| SpectraBase Compound ID | 8SIQVnvZ2xM |
|---|---|
| InChI | InChI=1S/C30H36BrClN4O7/c1-7-42-28(38)21-16-35(13-17-8-9-19(40-5)12-22(17)41-6)15-20-23(25(21)37)26(32)34-27(24(20)31)36-11-10-18(14-36)33-29(39)43-30(2,3)4/h8-9,12,16,18H,7,10-11,13-15H2,1-6H3,(H,33,39) |
| InChIKey | SLCAIMSRWZHEKS-UHFFFAOYSA-N |
| Mol Weight | 680.0 g/mol |
| Molecular Formula | C30H36BrClN4O7 |
| Exact Mass | 678.14559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LD0LO5F7tfV |
|---|---|
| Name | SLCAIMSRWZHEKS-UHFFFAOYSA-N |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H36BrClN4O7 |
| InChI | InChI=1S/C30H36BrClN4O7/c1-7-42-28(38)21-16-35(13-17-8-9-19(40-5)12-22(17)41-6)15-20-23(25(21)37)26(32)34-27(24(20)31)36-11-10-18(14-36)33-29(39)43-30(2,3)4/h8-9,12,16,18H,7,10-11,13-15H2,1-6H3,(H,33,39) |
| InChIKey | SLCAIMSRWZHEKS-UHFFFAOYSA-N |
| Literature Reference Author | W.J.SANDERS,X.ZHANG,R.WAGNER |
| Literature Reference Citation | ORG.LETTERS,6,4527(2004) |
| Literature Reference DOI | 10.1021/ol0481378 |
| Molecular Weight | 679.995 g/mol |
| Sample ID | 49636 |
| Solvent | DMSO-D6 |