| SpectraBase Compound ID | KiQXuBhemCn |
|---|---|
| InChI | InChI=1S/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/b7-5+ |
| InChIKey | GBXZVJQQDAJGSO-FNORWQNLSA-N |
| Mol Weight | 943.7 g/mol |
| Molecular Formula | C31H44N7O19P3S |
| Exact Mass | 943.162554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hpoj6xPV6LW |
|---|---|
| Name | FERULOYL_COA |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40N7O19P3S |
| InChI | InChI=1S/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/b7-5+ |
| InChIKey | GBXZVJQQDAJGSO-FNORWQNLSA-N |
| Literature Reference Author | M.A.COSTA,D.L.BEDGAR,S.G.A.MOINUDDIN,K.W.KIM,C.L.CARDENAS,F. C.COCHRANE,J.M.SHOCK |
| Literature Reference Citation | PHYTOCHEM.,66,2072(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.06.022 |
| Molecular Weight | 939.675 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ25586 |