| SpectraBase Compound ID | 8QxEVi88Uom |
|---|---|
| InChI | InChI=1S/C43H52N4O7/c1-7-40-12-11-28-42(13-15-46(38(40)42)20-27-35(40)53-27)23-17-21(9-10-25(23)45(28)3)30-33-36(54-33)41(8-2)19-22(37(49)52-6)34-43(14-16-47(30)39(41)43)24-18-26(48)31(50-4)32(51-5)29(24)44-34/h9-10,17-18,27-28,30,33,35-36,38-39,44,48H,7-8,11-16,19-20H2,1-6H3/t27-,28+,30+,33+,35-,36+,38+,39-,40-,41+,42+,43-/m1/s1 |
| InChIKey | AXBZVPIBJWOFHO-LDNNPJCPSA-N |
| Mol Weight | 736.9 g/mol |
| Molecular Formula | C43H52N4O7 |
| Exact Mass | 736.3836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zxfeZMLZ3D |
|---|---|
| Name | PEDUNCULINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H52N4O7 |
| InChI | InChI=1S/C43H52N4O7/c1-7-40-12-11-28-42(13-15-46(38(40)42)20-27-35(40)53-27)23-17-21(9-10-25(23)45(28)3)30-33-36(54-33)41(8-2)19-22(37(49)52-6)34-43(14-16-47(30)39(41)43)24-18-26(48)31(50-4)32(51-5)29(24)44-34/h9-10,17-18,27-28,30,33,35-36,38-39,44,48H,7-8,11-16,19-20H2,1-6H3/t27-,28+,30+,33+,35-,36+,38+,39-,40-,41+,42+,43-/m1/s1 |
| InChIKey | AXBZVPIBJWOFHO-LDNNPJCPSA-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 | 736.908 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3626 |