| SpectraBase Compound ID | CAOQdmIoQvO |
|---|---|
| InChI | InChI=1S/C27H30O14/c1-36-16-6-14(7-17-19(16)20(31)15(9-37-17)12-2-4-13(30)5-3-12)39-25-23(22(33)21(32)18(8-28)40-25)41-26-24(34)27(35,10-29)11-38-26/h2-7,9,18,21-26,28-30,32-35H,8,10-11H2,1H3/t18-,21-,22+,23-,24+,25-,26+,27-/m0/s1 |
| InChIKey | YKJQINPKOMCDAR-ANQGSVDJSA-N |
| Mol Weight | 578.52 g/mol |
| Molecular Formula | C27H30O14 |
| Exact Mass | 578.163556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nXA9uEyprs |
|---|---|
| Name | ERIOSEMASIDE-C;5-O-METHYLGENISTEIN-7-O-BETA-D-APIOFURANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O14 |
| InChI | InChI=1S/C27H30O14/c1-36-16-6-14(7-17-19(16)20(31)15(9-37-17)12-2-4-13(30)5-3-12)39-25-23(22(33)21(32)18(8-28)40-25)41-26-24(34)27(35,10-29)11-38-26/h2-7,9,18,21-26,28-30,32-35H,8,10-11H2,1H3/t18-,21-,22+,23-,24+,25-,26+,27-/m0/s1 |
| InChIKey | YKJQINPKOMCDAR-ANQGSVDJSA-N |
| Literature Reference Author | W.G.MA,Y.FUKUSHI,B.DUCREY,K.HOSTETTMANN,S.TAHARA |
| Literature Reference Citation | PHYTOCHEM.,51,1087(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00180-6 |
| Molecular Weight | 578.527 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN11031 |