| SpectraBase Compound ID | 4CwfSnk4p7l |
|---|---|
| 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-PBAPIZBRSA-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 | DB2zUBBRcED |
|---|---|
| Name | 6'-O-TRANS-FERULOYL-NEGUNDOSIDE |
| Compound Number | 166 |
| 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-PBAPIZBRSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 672.640 g/mol |
| Sample ID | 37962 |
| Solvent | CD3OD |