| SpectraBase Compound ID | D3y2RWCo8jL |
|---|---|
| InChI | InChI=1S/C22H22Br4N10O3/c23-8-4-11(32-17(8)25)19(38)29-3-1-2-10-16(36-22(28)34-10)15(13-6-31-21(27)35-13)14(37)7-30-20(39)12-5-9(24)18(26)33-12/h1-2,4-6,14-15,32-33,37H,3,7H2,(H,29,38)(H,30,39)(H3,27,31,35)(H3,28,34,36)/b2-1+/t14-,15+/m0/s1 |
| InChIKey | HFPWHJMMBLRRMI-VAMSJOSJSA-N |
| Mol Weight | 794.1 g/mol |
| Molecular Formula | C22H22Br4N10O3 |
| Exact Mass | 789.860987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wT3LBAcrSB |
|---|---|
| Name | NAGELAMIDE_B |
| CAS Registry Number | 690627-55-5 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22Br4N10O3 |
| InChI | InChI=1S/C22H22Br4N10O3/c23-8-4-11(32-17(8)25)19(38)29-3-1-2-10-16(36-22(28)34-10)15(13-6-31-21(27)35-13)14(37)7-30-20(39)12-5-9(24)18(26)33-12/h1-2,4-6,14-15,32-33,37H,3,7H2,(H,29,38)(H,30,39)(H3,27,31,35)(H3,28,34,36)/b2-1+/t14-,15+/m0/s1 |
| InChIKey | HFPWHJMMBLRRMI-VAMSJOSJSA-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 | 794.098 g/mol |
| Solvent | DMSO-D6:CF3COOH=99:1 |
| Source File Reference | UWMZ7297 |