| SpectraBase Compound ID | 6M2Ic6J8B16 |
|---|---|
| InChI | InChI=1S/C34H34O17/c1-16(35)44-14-23-29(46-17(2)36)27(41)28(42)31(48-23)51-34-30(24(15-45-34)47-25(39)12-5-18-3-8-20(37)9-4-18)49-32(43)33(34)22(13-26(40)50-33)19-6-10-21(38)11-7-19/h3-12,22-24,27-31,37-38,41-42H,13-15H2,1-2H3/b12-5+/t22-,23-,24+,27-,28-,29-,30-,31+,33-,34-/m1/s1 |
| InChIKey | VZJTUABWBMICNX-KMUMPUDJSA-N |
| Mol Weight | 714.6 g/mol |
| Molecular Formula | C34H34O17 |
| Exact Mass | 714.1796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRWDKtqVRed |
|---|---|
| Name | 4'',6'-DIACETYL-12-COUMAROYL-VIBURNOLIDE-A |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H34O17 |
| InChI | InChI=1S/C34H34O17/c1-16(35)44-14-23-29(46-17(2)36)27(41)28(42)31(48-23)51-34-30(24(15-45-34)47-25(39)12-5-18-3-8-20(37)9-4-18)49-32(43)33(34)22(13-26(40)50-33)19-6-10-21(38)11-7-19/h3-12,22-24,27-31,37-38,41-42H,13-15H2,1-2H3/b12-5+/t22-,23-,24+,27-,28-,29-,30-,31+,33-,34-/m1/s1 |
| InChIKey | VZJTUABWBMICNX-KMUMPUDJSA-N |
| Literature Reference Author | K.FRANKE,A.PORZEL,J.SCHMIDT |
| Literature Reference Citation | PHYTOCHEM.,61,873(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00358-8 |
| Molecular Weight | 714.634 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU29464 |