| SpectraBase Compound ID | A22epMzVp2g |
|---|---|
| InChI | InChI=1S/C28H40O18/c1-28(8-17(32)33,46-27-24(40)22(38)20(36)16(11-30)44-27)9-18(34)42-5-3-4-12-6-13(31)25(14(7-12)41-2)45-26-23(39)21(37)19(35)15(10-29)43-26/h3-4,6-7,15-16,19-24,26-27,29-31,35-40H,5,8-11H2,1-2H3,(H,32,33)/b4-3+/t15-,16+,19-,20+,21+,22-,23-,24+,26+,27-,28?/m1/s1 |
| InChIKey | YDMRZBOHBKNSOH-ASKWFCQISA-N |
| Mol Weight | 664.6 g/mol |
| Molecular Formula | C28H40O18 |
| Exact Mass | 664.221464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HsBtN588DWp |
|---|---|
| Name | BARBATOSIDE-A;WAHLENBERGIOSIDE-3'-O-GLUCOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O18 |
| InChI | InChI=1S/C28H40O18/c1-28(8-17(32)33,46-27-24(40)22(38)20(36)16(11-30)44-27)9-18(34)42-5-3-4-12-6-13(31)25(14(7-12)41-2)45-26-23(39)21(37)19(35)15(10-29)43-26/h3-4,6-7,15-16,19-24,26-27,29-31,35-40H,5,8-11H2,1-2H3,(H,32,33)/b4-3+/t15-,16+,19-,20+,21+,22-,23-,24+,26+,27-,28?/m1/s1 |
| InChIKey | YDMRZBOHBKNSOH-ASKWFCQISA-N |
| Literature Reference Author | M.CUENDET,O.POTTERAT,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,56,631(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00423-4 |
| Molecular Weight | 664.615 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2006 |