![MESEMBrYANTHIN;6-METHOXYISORHAMNETIN-3-O-[[(2'''-E-FERULOYL)-3'''-O-(BETA-D-GLUCOPYRANOSYL)]-(2''-BETA-D-XYLOPYRANOSYL)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/EWH6SL00U9I/structure.png?h=300&w=458 "MESEMBrYANTHIN;6-METHOXYISORHAMNETIN-3-O-[[(2'''-E-FERULOYL)-3'''-O-(BETA-D-GLUCOPYRANOSYL)]-(2''-BETA-D-XYLOPYRANOSYL)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 4dyzIsbxn45 |
|---|---|
| InChI | InChI=1S/C44H50O25/c1-59-22-10-16(4-7-18(22)47)5-9-27(51)66-41-38(67-42-35(58)33(56)29(52)25(13-45)64-42)21(50)15-62-43(41)69-40-34(57)30(53)26(14-46)65-44(40)68-39-32(55)28-24(12-20(49)37(61-3)31(28)54)63-36(39)17-6-8-19(48)23(11-17)60-2/h4-12,21,25-26,29-30,33-35,38,40-50,52-54,56-58H,13-15H2,1-3H3/b9-5+/t21-,25-,26-,29-,30-,33+,34+,35-,38+,40-,41-,42+,43+,44+/m0/s1 |
| InChIKey | ISCKCKJULNOYCD-ZOSNJYBWSA-N |
| Mol Weight | 978.9 g/mol |
| Molecular Formula | C44H50O25 |
| Exact Mass | 978.264117 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWH6SL00U9I |
|---|---|
| Name | MESEMBrYANTHIN;6-METHOXYISORHAMNETIN-3-O-[[(2'''-E-FERULOYL)-3'''-O-(BETA-D-GLUCOPYRANOSYL)]-(2''-BETA-D-XYLOPYRANOSYL)]-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H50O25 |
| InChI | InChI=1S/C44H50O25/c1-59-22-10-16(4-7-18(22)47)5-9-27(51)66-41-38(67-42-35(58)33(56)29(52)25(13-45)64-42)21(50)15-62-43(41)69-40-34(57)30(53)26(14-46)65-44(40)68-39-32(55)28-24(12-20(49)37(61-3)31(28)54)63-36(39)17-6-8-19(48)23(11-17)60-2/h4-12,21,25-26,29-30,33-35,38,40-50,52-54,56-58H,13-15H2,1-3H3/b9-5+/t21-,25-,26-,29-,30-,33+,34+,35-,38+,40-,41-,42+,43+,44+/m0/s1 |
| InChIKey | ISCKCKJULNOYCD-ZOSNJYBWSA-N |
| Literature Reference Author | T.VOGT,M.IBDAH,J.SCHMIDT,V.WRAY,M.NIMTZ,D.STRACK |
| Literature Reference Citation | PHYTOCHEM.,52,583(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00151-X |
| Molecular Weight | 978.866 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN547 |