| SpectraBase Compound ID | 68T7d95Im97 |
|---|---|
| InChI | InChI=1S/C26H30O13/c1-35-24(34)15-11-36-25(39-26-23(33)22(32)21(31)17(10-28)38-26)19-13(9-27)8-16(20(15)19)37-18(30)7-4-12-2-5-14(29)6-3-12/h2-8,11,16-17,19-23,25-29,31-33H,9-10H2,1H3/b7-4+/t16-,17+,19-,20+,21+,22-,23+,25+,26-/m1/s1 |
| InChIKey | ABYPZHZWILXERF-YXTSRERCSA-N |
| Mol Weight | 550.51 g/mol |
| Molecular Formula | C26H30O13 |
| Exact Mass | 550.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmrU7wUFmZ9 |
|---|---|
| Name | (E)-6-O-PARA-COUMAROYL-SCANDOSIDE-METHYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H30O13 |
| InChI | InChI=1S/C26H30O13/c1-35-24(34)15-11-36-25(39-26-23(33)22(32)21(31)17(10-28)38-26)19-13(9-27)8-16(20(15)19)37-18(30)7-4-12-2-5-14(29)6-3-12/h2-8,11,16-17,19-23,25-29,31-33H,9-10H2,1H3/b7-4+/t16-,17+,19-,20+,21+,22-,23+,25+,26-/m1/s1 |
| InChIKey | ABYPZHZWILXERF-YXTSRERCSA-N |
| Literature Reference Author | V.M.DEMAURA,D.P.D.SANTOS,S.M.D.O.SANTIN,J.E.DECARVALHO,M.A.F OGLIO |
| Literature Reference Citation | QUIM.NOVA,29,452(2006) |
| Literature Reference DOI | 10.1590/s0100-40422006000300009 |
| Molecular Weight | 550.516 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT12170 |