| SpectraBase Compound ID | GQMdJcL5Cpl |
|---|---|
| InChI | InChI=1S/C34H29Br3N4O8/c35-22-11-18-2-5-28(22)48-30-16-19(1-4-27(30)42)8-10-39-34(45)26(41-47)15-21-13-24(37)32(43)31(17-21)49-29-6-3-20(12-23(29)36)14-25(40-46)33(44)38-9-7-18/h1-6,11-13,16-17,42-43,46-47H,7-10,14-15H2,(H,38,44)(H,39,45)/b40-25-,41-26+ |
| InChIKey | TUYUXKVFCXANLL-LBPNOKFASA-N |
| Mol Weight | 861.3 g/mol |
| Molecular Formula | C34H29Br3N4O8 |
| Exact Mass | 857.953553 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmF6oDxcpi0 |
|---|---|
| Name | BASTADIN-21 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H27Br3N4O8 |
| InChI | InChI=1S/C34H29Br3N4O8/c35-22-11-18-2-5-28(22)48-30-16-19(1-4-27(30)42)8-10-39-34(45)26(41-47)15-21-13-24(37)32(43)31(17-21)49-29-6-3-20(12-23(29)36)14-25(40-46)33(44)38-9-7-18/h1-6,11-13,16-17,42-43,46-47H,7-10,14-15H2,(H,38,44)(H,39,45)/b40-25-,41-26+ |
| InChIKey | TUYUXKVFCXANLL-LBPNOKFASA-N |
| Literature Reference Author | J.C.COLL,P.S.KEARNS,J.A.RIDEOUT,V.SANKAR |
| Literature Reference Citation | J.NAT.PROD.,65,753(2002) |
| Literature Reference DOI | 10.1021/np010520n |
| Molecular Weight | 859.322 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI4239 |