| SpectraBase Compound ID | 1SETl2rZUQm |
|---|---|
| InChI | InChI=1S/C22H23Br3N10O2/c23-9-2-13(28-5-9)19(36)29-4-8-1-12-17(35-22(27)33-12)16(15-7-31-21(26)34-15)10(8)6-30-20(37)14-3-11(24)18(25)32-14/h2-3,5,7-8,10,16,28,32H,1,4,6H2,(H,29,36)(H,30,37)(H3,26,31,34)(H3,27,33,35)/t8-,10-,16+/m1/s1 |
| InChIKey | ZPPBXYMLLGMARQ-FUXNSRLFSA-N |
| Mol Weight | 699.21 g/mol |
| Molecular Formula | C22H23Br3N10O2 |
| Exact Mass | 695.955559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LgDJI2VrGCD |
|---|---|
| Name | NAGELAMIDE_F |
| CAS Registry Number | 690627-59-9 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H23Br3N10O2 |
| InChI | InChI=1S/C22H23Br3N10O2/c23-9-2-13(28-5-9)19(36)29-4-8-1-12-17(35-22(27)33-12)16(15-7-31-21(26)34-15)10(8)6-30-20(37)14-3-11(24)18(25)32-14/h2-3,5,7-8,10,16,28,32H,1,4,6H2,(H,29,36)(H,30,37)(H3,26,31,34)(H3,27,33,35)/t8-,10-,16+/m1/s1 |
| InChIKey | ZPPBXYMLLGMARQ-FUXNSRLFSA-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 | 699.202 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ7301 |