| SpectraBase Compound ID | CCx2JSGWQ4Q |
|---|---|
| InChI | InChI=1S/C27H32O12/c1-5-6-14-9-18(36-4)23(30)19(12-14)38-27-26(33)25(32)24(31)20(39-27)13-37-21(28)8-7-15-10-16(34-2)22(29)17(11-15)35-3/h5,7-12,20,24-27,29-33H,1,6,13H2,2-4H3/b8-7+/t20-,24-,25+,26-,27-/m0/s1 |
| InChIKey | OMQYRPLKROLHII-WFCPBXHZSA-N |
| Mol Weight | 548.5 g/mol |
| Molecular Formula | C27H32O12 |
| Exact Mass | 548.189376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FtdIdzLUVs8 |
|---|---|
| Name | (2-HYDROXY-3-METHOXY-5-ALLYL)-PHENYL_BETA-D-(6-O-E-SINAPOYL)-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O12 |
| InChI | InChI=1S/C27H32O12/c1-5-6-14-9-18(36-4)23(30)19(12-14)38-27-26(33)25(32)24(31)20(39-27)13-37-21(28)8-7-15-10-16(34-2)22(29)17(11-15)35-3/h5,7-12,20,24-27,29-33H,1,6,13H2,2-4H3/b8-7+/t20-,24-,25+,26-,27-/m0/s1 |
| InChIKey | OMQYRPLKROLHII-WFCPBXHZSA-N |
| Literature Reference Author | H.KIKUZAKI,Y.MIYAJIMA,N.NAKATANI |
| Literature Reference Citation | J.NAT.PROD.,71,861(2008) |
| Literature Reference DOI | 10.1021/np0705615 |
| Molecular Weight | 548.544 g/mol |
| Sample ID | 28297 |
| Solvent | ACETONE-D6 |