| SpectraBase Compound ID | A8SWvdcStPl |
|---|---|
| InChI | InChI=1S/C27H30O13/c1-3-17-25(36-13-18-24(33)35-11-10-27(17,18)34)40-26-23(37-14(2)29)21(32)22(19(12-28)38-26)39-20(31)9-6-15-4-7-16(30)8-5-15/h3-9,13,17,19,21-23,25-26,28,30,32,34H,1,10-12H2,2H3/b9-6-/t17-,19-,21-,22+,23-,25-,26-,27+/m0/s1 |
| InChIKey | YZBJKHZNDVUYIY-DFBIQDRKSA-N |
| Mol Weight | 562.52 g/mol |
| Molecular Formula | C27H30O13 |
| Exact Mass | 562.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjXkByRaNSt |
|---|---|
| Name | 2'-O-ACETYL-4'-O-CIS-P-COUMAROYLSWERTIAMARIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O13 |
| InChI | InChI=1S/C27H30O13/c1-3-17-25(36-13-18-24(33)35-11-10-27(17,18)34)40-26-23(37-14(2)29)21(32)22(19(12-28)38-26)39-20(31)9-6-15-4-7-16(30)8-5-15/h3-9,13,17,19,21-23,25-26,28,30,32,34H,1,10-12H2,2H3/b9-6-/t17-,19-,21-,22+,23-,25-,26-,27+/m0/s1 |
| InChIKey | YZBJKHZNDVUYIY-DFBIQDRKSA-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 | 562.527 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP775 |