| SpectraBase Compound ID | J8qIAp2g7YD |
|---|---|
| InChI | InChI=1S/C33H36O15/c1-33(42)12-11-19-20(29(39)40)14-45-31(25(19)33)48-32-28(47-30(41)17-5-7-18(34)8-6-17)27(38)26(37)23(46-32)15-44-24(36)10-4-16-3-9-21(35)22(13-16)43-2/h3-10,13-14,19,23,25-28,31-32,34-35,37-38,42H,11-12,15H2,1-2H3,(H,39,40)/b10-4+/t19-,23+,25-,26+,27-,28+,31+,32-,33+/m1/s1 |
| InChIKey | WNQDGXDEZSWXSE-PVXBRONASA-N |
| Mol Weight | 672.6 g/mol |
| Molecular Formula | C33H36O15 |
| Exact Mass | 672.20542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ojMksIgyKf |
|---|---|
| Name | 6'-O-TRANS-FERULOYLNEGUNDOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H36O15 |
| InChI | InChI=1S/C33H36O15/c1-33(42)12-11-19-20(29(39)40)14-45-31(25(19)33)48-32-28(47-30(41)17-5-7-18(34)8-6-17)27(38)26(37)23(46-32)15-44-24(36)10-4-16-3-9-21(35)22(13-16)43-2/h3-10,13-14,19,23,25-28,31-32,34-35,37-38,42H,11-12,15H2,1-2H3,(H,39,40)/b10-4+/t19-,23+,25-,26+,27-,28+,31+,32-,33+/m1/s1 |
| InChIKey | WNQDGXDEZSWXSE-PVXBRONASA-N |
| Literature Reference Author | C.SRIDHAR,G.V.SUBBARAJU,Y.VENKATESWARLU,R.T.VENUGOPAL |
| Literature Reference Citation | J.NAT.PROD.,67,2012(2004) |
| Literature Reference DOI | 10.1021/np040117r |
| Molecular Weight | 672.640 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ6824 |