| SpectraBase Compound ID | GbI6SXUaogw |
|---|---|
| InChI | InChI=1S/C43H54N4O8/c1-7-40-12-11-28-42(13-15-46(38(40)42)20-27(49)35(40)50)23-17-21(9-10-25(23)45(28)3)30-33-36(55-33)41(8-2)19-22(37(51)54-6)34-43(14-16-47(30)39(41)43)24-18-26(48)31(52-4)32(53-5)29(24)44-34/h9-10,17-18,27-28,30,33,35-36,38-39,44,48-50H,7-8,11-16,19-20H2,1-6H3/t27-,28-,30-,33-,35+,36-,38-,39+,40+,41-,42-,43+/m0/s1 |
| InChIKey | UDHOVDFGQKBCOZ-JXUVXDGSSA-N |
| Mol Weight | 754.9 g/mol |
| Molecular Formula | C43H54N4O8 |
| Exact Mass | 754.394165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ImrA2MN8PR9 |
|---|---|
| Name | PEDUNCULARIDINE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H54N4O8 |
| InChI | InChI=1S/C43H54N4O8/c1-7-40-12-11-28-42(13-15-46(38(40)42)20-27(49)35(40)50)23-17-21(9-10-25(23)45(28)3)30-33-36(55-33)41(8-2)19-22(37(51)54-6)34-43(14-16-47(30)39(41)43)24-18-26(48)31(52-4)32(53-5)29(24)44-34/h9-10,17-18,27-28,30,33,35-36,38-39,44,48-50H,7-8,11-16,19-20H2,1-6H3/t27-,28-,30-,33-,35+,36-,38-,39+,40+,41-,42-,43+/m0/s1 |
| InChIKey | UDHOVDFGQKBCOZ-JXUVXDGSSA-N |
| Literature Reference Author | M.ZECHES-HANROT,J.M.NUZILLARD,B.RICHARD,H.SCHALLER,H.A.HADI, T.SEVENET,L.L.MEN-OL |
| Literature Reference Citation | PHYTOCHEM.,40,587(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00152-W |
| Molecular Weight | 754.924 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3627 |