| SpectraBase Compound ID | JXeYr6SBl77 |
|---|---|
| InChI | InChI=1S/C25H28O12/c1-2-15-23(34-12-16-22(31)33-10-9-25(15,16)32)37-24-20(30)19(29)21(17(11-26)35-24)36-18(28)8-5-13-3-6-14(27)7-4-13/h2-8,12,15,17,19-21,23-24,26-27,29-30,32H,1,9-11H2/b8-5+/t15-,17-,19+,20-,21+,23-,24-,25+/m0/s1 |
| InChIKey | HDCDXJNXZKWABL-RXNSGDQDSA-N |
| Mol Weight | 520.49 g/mol |
| Molecular Formula | C25H28O12 |
| Exact Mass | 520.158076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvtQKNSW8hK |
|---|---|
| Name | 4'-O-TRANS-P-COUMAROYL-SWERTIAMARIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28O12 |
| InChI | InChI=1S/C25H28O12/c1-2-15-23(34-12-16-22(31)33-10-9-25(15,16)32)37-24-20(30)19(29)21(17(11-26)35-24)36-18(28)8-5-13-3-6-14(27)7-4-13/h2-8,12,15,17,19-21,23-24,26-27,29-30,32H,1,9-11H2/b8-5+/t15-,17-,19+,20-,21+,23-,24-,25+/m0/s1 |
| InChIKey | HDCDXJNXZKWABL-RXNSGDQDSA-N |
| Literature Reference Author | H.KIKUZAKI,Y.KAWASAKI,S.KITAMURA,N.NAKATANI |
| Literature Reference Citation | PLANTA.MED.,62,35(1996) |
| Literature Reference DOI | 10.1055/s-2006-957792 |
| Molecular Weight | 520.490 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP776 |