| SpectraBase Compound ID | JfZ37sX2e1C |
|---|---|
| InChI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m1/s1 |
| InChIKey | IKGXIBQEEMLURG-GGFYDIPBSA-N |
| Mol Weight | 610.52 g/mol |
| Molecular Formula | C27H30O16 |
| Exact Mass | 610.153385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iw6Z3Z2UnmA |
|---|---|
| Name | RUTINE;QUERCETIN-3-O-RUTINOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O16 |
| InChI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m1/s1 |
| InChIKey | IKGXIBQEEMLURG-GGFYDIPBSA-N |
| Literature Reference Author | U.S.HARPUT,A.NAGATSU,I.SARACOGLU |
| Literature Reference Citation | REC.NAT.PROD.,6,62(2012) |
| Molecular Weight | 610.526 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT15218 |