| SpectraBase Compound ID | 3MMcQ0DioeT |
|---|---|
| InChI | InChI=1S/C28H36O16/c1-36-16-7-13(5-6-15(16)30)25(34)40-11-28(35)12-41-27(24(28)33)44-23-21(32)20(31)19(10-29)43-26(23)42-14-8-17(37-2)22(39-4)18(9-14)38-3/h5-9,19-21,23-24,26-27,29-33,35H,10-12H2,1-4H3/t19-,20-,21+,23-,24+,26-,27+,28-/m1/s1 |
| InChIKey | FNNPPDWPJSIZBK-NSUMHAEISA-N |
| Mol Weight | 628.6 g/mol |
| Molecular Formula | C28H36O16 |
| Exact Mass | 628.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdVLkoUFnlm |
|---|---|
| Name | KHAEPHUOSIDE-B;3'''-METHOXY-4'''-HYDROXYBENZOIC-ACID-ESTER |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O16 |
| InChI | InChI=1S/C28H36O16/c1-36-16-7-13(5-6-15(16)30)25(34)40-11-28(35)12-41-27(24(28)33)44-23-21(32)20(31)19(10-29)43-26(23)42-14-8-17(37-2)22(39-4)18(9-14)38-3/h5-9,19-21,23-24,26-27,29-33,35H,10-12H2,1-4H3/t19-,20-,21+,23-,24+,26-,27+,28-/m1/s1 |
| InChIKey | FNNPPDWPJSIZBK-NSUMHAEISA-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 | 628.584 g/mol |
| Solvent | CD3OD |