| SpectraBase Compound ID | 9LUra1Otznq |
|---|---|
| InChI | InChI=1S/C40H45NO11/c1-8-30(44)50-32-23(4)19-40(52-25(6)43)31(32)34(48-24(5)42)39-21-47-38(7,37(40)51-36(46)27-15-12-18-41-20-27)33(39)28(22(2)3)16-17-29(39)49-35(45)26-13-10-9-11-14-26/h9-18,20,23,28-29,31-34,37H,2,8,19,21H2,1,3-7H3/t23-,28+,29+,31+,32-,33-,34+,37-,38+,39+,40+/m0/s1 |
| InChIKey | VVOHQWVWQIGHHS-UXXSSWLWSA-N |
| Mol Weight | 715.8 g/mol |
| Molecular Formula | C40H45NO11 |
| Exact Mass | 715.299261 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99ZaVn1rZwI |
|---|---|
| Name | 14-DESOXO-3-O-PROPIONYL-5,15-DI-O-ACETYL-7-O-BENZOYL-MYRSINOL-14-BETA-NICOTINOATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H45NO11 |
| InChI | InChI=1S/C40H45NO11/c1-8-30(44)50-32-23(4)19-40(52-25(6)43)31(32)34(48-24(5)42)39-21-47-38(7,37(40)51-36(46)27-15-12-18-41-20-27)33(39)28(22(2)3)16-17-29(39)49-35(45)26-13-10-9-11-14-26/h9-18,20,23,28-29,31-34,37H,2,8,19,21H2,1,3-7H3/t23-,28+,29+,31+,32-,33-,34+,37-,38+,39+,40+/m0/s1 |
| InChIKey | VVOHQWVWQIGHHS-UXXSSWLWSA-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 | 715.797 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4563 |