| SpectraBase Compound ID | FhXbvuOiUj9 |
|---|---|
| InChI | InChI=1S/C41H52O25/c1-5-18-19-9-10-55-36(53)21(19)12-57-38(18)66-41-35(60-17(4)45)34(59-16(3)44)33(25(64-41)14-56-15(2)43)65-37(54)20-7-6-8-22(26(20)46)61-40-32(52)30(50)28(48)24(63-40)13-58-39-31(51)29(49)27(47)23(11-42)62-39/h5-8,12,18-19,23-25,27-35,38-42,46-52H,1,9-11,13-14H2,2-4H3/t18-,19?,23-,24-,25+,27-,28-,29+,30+,31-,32-,33+,34-,35+,38+,39-,40-,41-/m1/s1 |
| InChIKey | KSEGFPBHGPMGNK-DHUDVJDISA-N |
| Mol Weight | 944.8 g/mol |
| Molecular Formula | C41H52O25 |
| Exact Mass | 944.279767 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4p7sTQWZXVg |
|---|---|
| Name | 6''''-O-GLUCOSYLTRIFLOROSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H52O25 |
| InChI | InChI=1S/C41H52O25/c1-5-18-19-9-10-55-36(53)21(19)12-57-38(18)66-41-35(60-17(4)45)34(59-16(3)44)33(25(64-41)14-56-15(2)43)65-37(54)20-7-6-8-22(26(20)46)61-40-32(52)30(50)28(48)24(63-40)13-58-39-31(51)29(49)27(47)23(11-42)62-39/h5-8,12,18-19,23-25,27-35,38-42,46-52H,1,9-11,13-14H2,2-4H3/t18-,19?,23-,24-,25+,27-,28-,29+,30+,31-,32-,33+,34-,35+,38+,39-,40-,41-/m1/s1 |
| InChIKey | KSEGFPBHGPMGNK-DHUDVJDISA-N |
| Literature Reference Author | C.BERGERON,A.MARSTON,R.GAUTHIER,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,44,633(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00636-X |
| Molecular Weight | 944.849 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPA198 |