| SpectraBase Compound ID | VlIwHorhve |
|---|---|
| InChI | InChI=1S/C30H32O19/c1-9-20(38)23(41)24(42)29(45-9)44-8-16-21(39)27(48-18(37)7-17(35)36)25(43)30(47-16)49-28-22(40)19-14(34)5-11(31)6-15(19)46-26(28)10-2-3-12(32)13(33)4-10/h2-6,9,16,20-21,23-25,27,29-34,38-39,41-43H,7-8H2,1H3,(H,35,36)/t9-,16+,20-,21+,23+,24+,25+,27-,29+,30-/m0/s1 |
| InChIKey | IHFDDSMQNAWYAG-RHJCYDKXSA-N |
| Mol Weight | 696.6 g/mol |
| Molecular Formula | C30H32O19 |
| Exact Mass | 696.153779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hpbyt2OY8OF |
|---|---|
| Name | RUTIN-3''-O-MALONATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H32O19 |
| InChI | InChI=1S/C30H32O19/c1-9-20(38)23(41)24(42)29(45-9)44-8-16-21(39)27(48-18(37)7-17(35)36)25(43)30(47-16)49-28-22(40)19-14(34)5-11(31)6-15(19)46-26(28)10-2-3-12(32)13(33)4-10/h2-6,9,16,20-21,23-25,27,29-34,38-39,41-43H,7-8H2,1H3,(H,35,36)/t9-,16+,20-,21+,23+,24+,25+,27-,29+,30-/m0/s1 |
| InChIKey | IHFDDSMQNAWYAG-RHJCYDKXSA-N |
| Literature Reference Author | S.RIVA,B.DANIELI,M.LUISETTI |
| Literature Reference Citation | J.NAT.PROD.,59,618(1996) |
| Literature Reference DOI | 10.1021/np960239m |
| Molecular Weight | 696.573 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRK887 |