| SpectraBase Compound ID | 5UsQRSR89zw |
|---|---|
| InChI | InChI=1S/C28H32O14/c1-4-16-26(38-13-17-25(34)37-10-9-28(16,17)35)42-27-24(39-14(2)30)22(33)23(20(12-29)40-27)41-21(32)8-6-15-5-7-18(31)19(11-15)36-3/h4-8,11,13,16,20,22-24,26-27,29,31,33,35H,1,9-10,12H2,2-3H3/b8-6+/t16-,20-,22-,23+,24-,26-,27-,28+/m0/s1 |
| InChIKey | IRDHJQYJIJBPQR-QZOHQPGSSA-N |
| Mol Weight | 592.6 g/mol |
| Molecular Formula | C28H32O14 |
| Exact Mass | 592.179206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdEkNsveXxD |
|---|---|
| Name | 2'-O-ACETYL-4'-O-TRANS-FERULOYLSWERTIAMARIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32O14 |
| InChI | InChI=1S/C28H32O14/c1-4-16-26(38-13-17-25(34)37-10-9-28(16,17)35)42-27-24(39-14(2)30)22(33)23(20(12-29)40-27)41-21(32)8-6-15-5-7-18(31)19(11-15)36-3/h4-8,11,13,16,20,22-24,26-27,29,31,33,35H,1,9-10,12H2,2-3H3/b8-6+/t16-,20-,22-,23+,24-,26-,27-,28+/m0/s1 |
| InChIKey | IRDHJQYJIJBPQR-QZOHQPGSSA-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 | 592.554 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP772 |