| SpectraBase Compound ID | GV6lhK0bg77 |
|---|---|
| InChI | InChI=1S/C39H43NO11/c1-21(2)28-15-16-29(49-34(44)26-12-9-8-10-13-26)38-20-46-37(7,32(28)38)36(50-35(45)27-14-11-17-40-19-27)39(51-25(6)43)18-22(3)31(47-23(4)41)30(39)33(38)48-24(5)42/h8-17,19,22,28-33,36H,1,18,20H2,2-7H3/t22-,28+,29+,30+,31-,32-,33+,36-,37+,38+,39+/m0/s1 |
| InChIKey | WWCPXZSRMMZWRD-FAXIRFPESA-N |
| Mol Weight | 701.8 g/mol |
| Molecular Formula | C39H43NO11 |
| Exact Mass | 701.283611 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91vfML3eRWs |
|---|---|
| Name | 14-DESOXO-3,5,15-TRI-O-ACETYL-7-O-BENZOYL-MYRSINOL-14-BETA-NICOTINOATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H43NO11 |
| InChI | InChI=1S/C39H43NO11/c1-21(2)28-15-16-29(49-34(44)26-12-9-8-10-13-26)38-20-46-37(7,32(28)38)36(50-35(45)27-14-11-17-40-19-27)39(51-25(6)43)18-22(3)31(47-23(4)41)30(39)33(38)48-24(5)42/h8-17,19,22,28-33,36H,1,18,20H2,2-7H3/t22-,28+,29+,30+,31-,32-,33+,36-,37+,38+,39+/m0/s1 |
| InChIKey | WWCPXZSRMMZWRD-FAXIRFPESA-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 | 701.771 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4562 |