| SpectraBase Compound ID | 7HsyQrWkYYy |
|---|---|
| InChI | InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
| InChIKey | YFVGIJBUXMQFOF-PJOVQGMDSA-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 | KybUBuuXxi8 |
|---|---|
| Name | ACACETIN-7-O-RUTINOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32O14 |
| InChI | InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
| InChIKey | YFVGIJBUXMQFOF-PJOVQGMDSA-N |
| Literature Reference Author | K.E.SCHWINN,K.R.MARKHAM,N.K.GIVEN |
| Literature Reference Citation | PHYTOCHEM.,35,145(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90523-5 |
| Molecular Weight | 592.554 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU24109 |