| SpectraBase Compound ID | B1gjBpK4YqJ |
|---|---|
| InChI | InChI=1S/C31H38O16/c1-14-24(38)25(39)26(40)31(44-14)47-29-27(41)30(42-10-9-17-4-7-19(34)21(36)12-17)45-22(13-43-15(2)32)28(29)46-23(37)8-5-16-3-6-18(33)20(35)11-16/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22-,24-,25+,26+,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | JBGBPOYDCGQCJC-BACLUAOJSA-N |
| Mol Weight | 666.6 g/mol |
| Molecular Formula | C31H38O16 |
| Exact Mass | 666.215985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9SupzQxcLdE |
|---|---|
| Name | 6''-O-ACETYLVERBASCOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O16 |
| InChI | InChI=1S/C31H38O16/c1-14-24(38)25(39)26(40)31(44-14)47-29-27(41)30(42-10-9-17-4-7-19(34)21(36)12-17)45-22(13-43-15(2)32)28(29)46-23(37)8-5-16-3-6-18(33)20(35)11-16/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22-,24-,25+,26+,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | JBGBPOYDCGQCJC-BACLUAOJSA-N |
| Literature Reference Author | T.KANCHANAPOOM,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,59,565(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00476-9 |
| Molecular Weight | 666.633 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2744 |