![8,9-DIHYDROBARETTIN;CYClO-[(6-BrOMOTRYPTOPHAN)-ARGININE]](/api/spectrum/K2Cv602tUVV/structure.png?h=300&w=458 "8,9-DIHYDROBARETTIN;CYClO-[(6-BrOMOTRYPTOPHAN)-ARGININE]")
| SpectraBase Compound ID | 7m7kaPDVqpI |
|---|---|
| InChI | InChI=1S/C17H21BrN6O2.C2HF3O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20;3-2(4,5)1(6)7/h3-4,7-8,12,14,22H,1-2,5-6H2,(H,23,26)(H,24,25)(H4,19,20,21);(H,6,7) |
| InChIKey | YPQZHDIFCNYAMS-UHFFFAOYSA-N |
| Mol Weight | 535.32 g/mol |
| Molecular Formula | C19H22BrF3N6O4 |
| Exact Mass | 534.083801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K2Cv602tUVV |
|---|---|
| Name | 8,9-DIHYDROBARETTIN;CYClO-[(6-BrOMOTRYPTOPHAN)-ARGININE] |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H22BrF3N6O4 |
| InChI | InChI=1S/C17H21BrN6O2.C2HF3O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20;3-2(4,5)1(6)7/h3-4,7-8,12,14,22H,1-2,5-6H2,(H,23,26)(H,24,25)(H4,19,20,21);(H,6,7) |
| InChIKey | YPQZHDIFCNYAMS-UHFFFAOYSA-N |
| Literature Reference Author | M.SJOEGREN,U.GOERANSSON,A.L.JOHNSON,M.DAHLSTROEM,R.ANDERSSON ,J.BERGMAN,P.R.JONSS |
| Literature Reference Citation | J.NAT.PROD.,67,368(2004) |
| Literature Reference DOI | 10.1021/np0302403 |
| Molecular Weight | 535.321 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP4027 |