| SpectraBase Compound ID | LKkTlTH3NXu |
|---|---|
| InChI | InChI=1S/C41H48N4O4/c1-6-23-21-44-16-15-40-20-30-26-17-34-36-27(24-11-7-9-13-31(24)43(36)4)18-33(42(34)3)28(26)22-48-39(30,2)49-41(40)35(44)19-25(23)37(38(46)47-5)45(41)32-14-10-8-12-29(32)40/h6-14,25-26,28,30,33-35,37H,15-22H2,1-5H3/b23-6+/t25-,26+,28+,30+,33-,34-,35-,37-,39-,40-,41-/m0/s1 |
| InChIKey | XXNYZYBYNFRERU-VWGQDNJASA-N |
| Mol Weight | 660.9 g/mol |
| Molecular Formula | C41H48N4O4 |
| Exact Mass | 660.367556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4x5DHELxD4m |
|---|---|
| Name | VILLALSTONIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H48N4O4 |
| InChI | InChI=1S/C41H48N4O4/c1-6-23-21-44-16-15-40-20-30-26-17-34-36-27(24-11-7-9-13-31(24)43(36)4)18-33(42(34)3)28(26)22-48-39(30,2)49-41(40)35(44)19-25(23)37(38(46)47-5)45(41)32-14-10-8-12-29(32)40/h6-14,25-26,28,30,33-35,37H,15-22H2,1-5H3/b23-6+/t25-,26+,28+,30+,33-,34-,35-,37-,39-,40-,41-/m0/s1 |
| InChIKey | XXNYZYBYNFRERU-VWGQDNJASA-N |
| Literature Reference Author | B.C.DAS,J.P.COSSON,G.LUKACS,P.POTIER |
| Literature Reference Citation | TETRAH.LETT.,15,4299(1974) |
| Literature Reference DOI | 10.1016/S0040-4039(01)92147-1 |
| Molecular Weight | 660.857 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW12762 |