| SpectraBase Compound ID | DfVIkpFzbdC |
|---|---|
| InChI | InChI=1S/C22H24Br2N10O2/c23-10-2-14(27-5-10)19(35)29-4-9-1-13-18(34-22(26)32-13)17(16-8-31-21(25)33-16)12(9)7-30-20(36)15-3-11(24)6-28-15/h2-3,5-6,8-9,12,17,27-28H,1,4,7H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t9-,12-,17+/m1/s1 |
| InChIKey | DMMLTRAQSJWUHT-KSYCPYKJSA-N |
| Mol Weight | 620.31 g/mol |
| Molecular Formula | C22H24Br2N10O2 |
| Exact Mass | 618.045046 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmheFCzzaMR |
|---|---|
| Name | NAGELAMIDE_E |
| CAS Registry Number | 690627-58-8 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H24Br2N10O2 |
| InChI | InChI=1S/C22H24Br2N10O2/c23-10-2-14(27-5-10)19(35)29-4-9-1-13-18(34-22(26)32-13)17(16-8-31-21(25)33-16)12(9)7-30-20(36)15-3-11(24)6-28-15/h2-3,5-6,8-9,12,17,27-28H,1,4,7H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t9-,12-,17+/m1/s1 |
| InChIKey | DMMLTRAQSJWUHT-KSYCPYKJSA-N |
| Literature Reference Author | T.ENDO,M.TSUDA,T.OKADA,S.MITSUHASHI,H.SHIMA,K.KIKUCHI,Y.MIKA MI,J.FROMONT,J.I.KOB |
| Literature Reference Citation | J.NAT.PROD.,67,1262(2004) |
| Literature Reference DOI | 10.1021/np034077n |
| Molecular Weight | 620.306 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ7300 |