| SpectraBase Compound ID | 9H0FxfYHqAM |
|---|---|
| InChI | InChI=1S/C36H45BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-14,20-23,29-30,32,39,42,44H,1,15-18H2,2-6H3,(H,38,45)(H,40,46)/t20-,21+,22-,23+,29-,30-,32?/m1/s1 |
| InChIKey | BJPMREHPIFRLGM-MPXDTEFBSA-N |
| Mol Weight | 725.7 g/mol |
| Molecular Formula | C36H45BrN4O7 |
| Exact Mass | 724.247163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KadCe95TEGX |
|---|---|
| Name | JASPAMIDE-C |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45BrN4O7 |
| InChI | InChI=1S/C36H45BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-14,20-23,29-30,32,39,42,44H,1,15-18H2,2-6H3,(H,38,45)(H,40,46)/t20-,21+,22-,23+,29-,30-,32?/m1/s1 |
| InChIKey | BJPMREHPIFRLGM-MPXDTEFBSA-N |
| Literature Reference Author | A.ZAMPELLA,C.GIANNINI,C.DEBITUS,C.ROUSSAKIS,M.V.D'AURIA |
| Literature Reference Citation | J.NAT.PROD.,62,332(1999) |
| Literature Reference DOI | 10.1021/np9803225 |
| Molecular Weight | 725.680 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6194 |