| SpectraBase Compound ID | H1SuQ3xibNo |
|---|---|
| InChI | InChI=1S/C39H44N2O11/c1-8-29(44)50-31-22(4)17-39(52-24(6)43)30(31)33(48-23(5)42)38-20-47-37(7,36(39)51-35(46)26-12-10-16-41-19-26)32(38)27(21(2)3)13-14-28(38)49-34(45)25-11-9-15-40-18-25/h9-16,18-19,22,27-28,30-33,36H,2,8,17,20H2,1,3-7H3/t22-,27+,28+,30+,31-,32-,33+,36-,37+,38+,39+/m0/s1 |
| InChIKey | ZONUZKYONKQNDQ-RASVLFRWSA-N |
| Mol Weight | 716.8 g/mol |
| Molecular Formula | C39H44N2O11 |
| Exact Mass | 716.29451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | p2VTzbcenM |
|---|---|
| Name | 14-DESOXO-3-O-PROPIONYL-5,15-DI-O-ACETYL-7-O-NICOTINOYL-MYRSINOL-14-BETA-NICOTINOATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H44N2O11 |
| InChI | InChI=1S/C39H44N2O11/c1-8-29(44)50-31-22(4)17-39(52-24(6)43)30(31)33(48-23(5)42)38-20-47-37(7,36(39)51-35(46)26-12-10-16-41-19-26)32(38)27(21(2)3)13-14-28(38)49-34(45)25-11-9-15-40-18-25/h9-16,18-19,22,27-28,30-33,36H,2,8,17,20H2,1,3-7H3/t22-,27+,28+,30+,31-,32-,33+,36-,37+,38+,39+/m0/s1 |
| InChIKey | ZONUZKYONKQNDQ-RASVLFRWSA-N |
| Literature Reference Author | F.JESKE,J.JAKUPOVIC,W.BERENDSOHN |
| Literature Reference Citation | PHYTOCHEM.,40,1743(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00514-8 |
| Molecular Weight | 716.785 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4560 |