| SpectraBase Compound ID | Kf5DH6GNo0P |
|---|---|
| InChI | InChI=1S/C38H42N2O11/c1-20(2)27-12-13-28(49-33(44)25-10-8-14-39-17-25)37-19-46-36(7,31(27)37)35(50-34(45)26-11-9-15-40-18-26)38(51-24(6)43)16-21(3)30(47-22(4)41)29(38)32(37)48-23(5)42/h8-15,17-18,21,27-32,35H,1,16,19H2,2-7H3/t21-,27+,28+,29+,30-,31-,32+,35-,36+,37+,38+/m0/s1 |
| InChIKey | FYIFMJORFGEHIK-JVHVZTGESA-N |
| Mol Weight | 702.8 g/mol |
| Molecular Formula | C38H42N2O11 |
| Exact Mass | 702.27886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KDvv3BFFhy |
|---|---|
| Name | 14-DESOXO-3,5,15-TRI-O-ACETYL-7-O-NICOTINOYL-MYRSINOL-14-BETA-NICOTINOATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H42N2O11 |
| InChI | InChI=1S/C38H42N2O11/c1-20(2)27-12-13-28(49-33(44)25-10-8-14-39-17-25)37-19-46-36(7,31(27)37)35(50-34(45)26-11-9-15-40-18-26)38(51-24(6)43)16-21(3)30(47-22(4)41)29(38)32(37)48-23(5)42/h8-15,17-18,21,27-32,35H,1,16,19H2,2-7H3/t21-,27+,28+,29+,30-,31-,32+,35-,36+,37+,38+/m0/s1 |
| InChIKey | FYIFMJORFGEHIK-JVHVZTGESA-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 | 702.758 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4561 |