![ACACETIN-7-O-[2'''-O,3'''-O-DI-(2-METHYLBUTYRYL)-RUTINOSIDE]](/api/spectrum/AA8ITkO3BuE/structure.png?h=300&w=458 "ACACETIN-7-O-[2'''-O,3'''-O-DI-(2-METHYLBUTYRYL)-RUTINOSIDE]")
| SpectraBase Compound ID | LFU3uhtlkRu |
|---|---|
| InChI | InChI=1S/C38H48O16/c1-7-17(3)35(45)53-33-29(41)19(5)49-38(34(33)54-36(46)18(4)8-2)48-16-27-30(42)31(43)32(44)37(52-27)50-22-13-23(39)28-24(40)15-25(51-26(28)14-22)20-9-11-21(47-6)12-10-20/h9-15,17-19,27,29-34,37-39,41-44H,7-8,16H2,1-6H3/t17?,18?,19-,27+,29-,30+,31-,32+,33+,34+,37+,38+/m1/s1 |
| InChIKey | CHBISMUZCDDYBP-RIPYDAEGSA-N |
| Mol Weight | 760.8 g/mol |
| Molecular Formula | C38H48O16 |
| Exact Mass | 760.294235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AA8ITkO3BuE |
|---|---|
| Name | ACACETIN-7-O-[2'''-O,3'''-O-DI-(2-METHYLBUTYRYL)-RUTINOSIDE] |
| Compound Number | TABLE-#14/#1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H48O16 |
| InChI | InChI=1S/C38H48O16/c1-7-17(3)35(45)53-33-29(41)19(5)49-38(34(33)54-36(46)18(4)8-2)48-16-27-30(42)31(43)32(44)37(52-27)50-22-13-23(39)28-24(40)15-25(51-26(28)14-22)20-9-11-21(47-6)12-10-20/h9-15,17-19,27,29-34,37-39,41-44H,7-8,16H2,1-6H3/t17?,18?,19-,27+,29-,30+,31-,32+,33+,34+,37+,38+/m1/s1 |
| InChIKey | CHBISMUZCDDYBP-RIPYDAEGSA-N |
| Literature Reference Author | P.K.AGRAWAL,R.P.RASTOGI |
| Literature Reference Citation | HETEROCYCLES,16,2181(1981) |
| Literature Reference DOI | 10.3987/R-1981-12-2181 |
| Molecular Weight | 760.790 g/mol |
| Solvent | Unknown |
| Source File Reference | UWRK2548 |