| SpectraBase Compound ID | GHgbXIUt2PC |
|---|---|
| InChI | InChI=1S/C36H46N4O6/c1-21-15-22(2)17-24(4)46-33(42)19-31(26-11-13-28(41)14-12-26)39-35(44)32(18-27-20-37-30-10-8-7-9-29(27)30)40(6)36(45)25(5)38-34(43)23(3)16-21/h7-15,20,22-25,31-32,37,41H,16-19H2,1-6H3,(H,38,43)(H,39,44)/b21-15+/t22-,23-,24-,25-,31+,32+/m0/s1 |
| InChIKey | PWHMXYJBGYEDHW-RWGHOPJMSA-N |
| Mol Weight | 630.8 g/mol |
| Molecular Formula | C36H46N4O6 |
| Exact Mass | 630.341735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 829j7hpL4RM |
|---|---|
| Name | JASPAMIDE-Q |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46N4O6 |
| InChI | InChI=1S/C36H46N4O6/c1-21-15-22(2)17-24(4)46-33(42)19-31(26-11-13-28(41)14-12-26)39-35(44)32(18-27-20-37-30-10-8-7-9-29(27)30)40(6)36(45)25(5)38-34(43)23(3)16-21/h7-15,20,22-25,31-32,37,41H,16-19H2,1-6H3,(H,38,43)(H,39,44)/b21-15+/t22-,23-,24-,25-,31+,32+/m0/s1 |
| InChIKey | PWHMXYJBGYEDHW-RWGHOPJMSA-N |
| Literature Reference Author | S.S.EBADA,V.WRAY,N.J.D.VOOGD,Z.DENG,W.LIN,P.PROKSCH |
| Literature Reference Citation | MAR.DRUGS,7,435(2009) |
| Literature Reference DOI | 10.3390/md7030435 |
| Molecular Weight | 630.784 g/mol |
| Source File Reference | UWIR6313 |