| SpectraBase Compound ID | IAdD112XwKx |
|---|---|
| InChI | InChI=1S/C26H32O12/c1-12-17(29)9-15-16(24(33)34-2)11-35-25(20(12)15)38-26-23(22(32)21(31)18(10-27)36-26)37-19(30)8-5-13-3-6-14(28)7-4-13/h3-8,11-12,15,17-18,20-23,25-29,31-32H,9-10H2,1-2H3/b8-5+/t12-,15+,17-,18-,20+,21-,22+,23-,25-,26+/m0/s1 |
| InChIKey | YTJIFMQPXOUHMD-NWHNPNBLSA-N |
| Mol Weight | 536.5 g/mol |
| Molecular Formula | C26H32O12 |
| Exact Mass | 536.189376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6MSSSnf120H |
|---|---|
| Name | 2'-O-(E)-PARA-COUMAROYLLOGANIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H32O12 |
| InChI | InChI=1S/C26H32O12/c1-12-17(29)9-15-16(24(33)34-2)11-35-25(20(12)15)38-26-23(22(32)21(31)18(10-27)36-26)37-19(30)8-5-13-3-6-14(28)7-4-13/h3-8,11-12,15,17-18,20-23,25-29,31-32H,9-10H2,1-2H3/b8-5+/t12-,15+,17-,18-,20+,21-,22+,23-,25-,26+/m0/s1 |
| InChIKey | YTJIFMQPXOUHMD-NWHNPNBLSA-N |
| Literature Reference Author | H.KUWAJIMA,N.SHIBANO,T.BABA,K.TAKAISHI,K.INOUE,T.SHINGU |
| Literature Reference Citation | PHYTOCHEM.,41,289(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00525-0 |
| Molecular Weight | 536.533 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU3886 |