| SpectraBase Compound ID | JfuV5dlzrBl |
|---|---|
| InChI | InChI=1S/C34H26Br6N4O9/c35-18-5-15-2-4-42-34(49)27(44-51)28(45)17-12-22(39)32(23(40)13-17)53-26-11-16(8-19(36)30(26)47)9-24(43-50)33(48)41-3-1-14-6-20(37)31(21(38)7-14)52-25(10-15)29(18)46/h5-8,10-13,28,45-47,50-51H,1-4,9H2,(H,41,48)(H,42,49)/b43-24-,44-27- |
| InChIKey | MHAGECXZXFMEGD-WTVVHIDGSA-N |
| Mol Weight | 1114.0 g/mol |
| Molecular Formula | C34H26Br6N4O9 |
| Exact Mass | 1107.680006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EE3OOcfdWkH |
|---|---|
| Name | BASTADIN_24 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H24Br6N4O9 |
| InChI | InChI=1S/C34H26Br6N4O9/c35-18-5-15-2-4-42-34(49)27(44-51)28(45)17-12-22(39)32(23(40)13-17)53-26-11-16(8-19(36)30(26)47)9-24(43-50)33(48)41-3-1-14-6-20(37)31(21(38)7-14)52-25(10-15)29(18)46/h5-8,10-13,28,45-47,50-51H,1-4,9H2,(H,41,48)(H,42,49)/b43-24-,44-27- |
| InChIKey | MHAGECXZXFMEGD-WTVVHIDGSA-N |
| Literature Reference Author | H.GREVE,S.KEHRAUS,A.KRICK,G.KELTER,A.MAIER,H.H.FIEBIG,A.D.WR IGHT,G.M.KOENIG |
| Literature Reference Citation | J.NAT.PROD.,71,309(2008) |
| Literature Reference DOI | 10.1021/np070373e |
| Molecular Weight | 1112.010 g/mol |
| Sample ID | 27478 |
| Solvent | CD3CN |