| SpectraBase Compound ID | 42TNGyaXhzM |
|---|---|
| InChI | InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-13(49-32-27(45)24(42)20(38)16(8-34)51-32)7-15(18)50-29(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16-,17+,19-,20-,21+,23+,24+,25-,26+,27-,28+,31+,32-,33-/m0/s1 |
| InChIKey | SCEPATPTKMFDSR-LSYCCETASA-N |
| Mol Weight | 756.7 g/mol |
| Molecular Formula | C33H40O20 |
| Exact Mass | 756.211294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3kCt8j3kGx1 |
|---|---|
| Name | KAEMPFEROL-3-O-RUTINOSIDE-7-O-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O20 |
| InChI | InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-13(49-32-27(45)24(42)20(38)16(8-34)51-32)7-15(18)50-29(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16-,17+,19-,20-,21+,23+,24+,25-,26+,27-,28+,31+,32-,33-/m0/s1 |
| InChIKey | SCEPATPTKMFDSR-LSYCCETASA-N |
| Literature Reference Author | J.BUDZIANOWSKI |
| Literature Reference Citation | PHYTOCHEM.,29,3643(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85292-N |
| Molecular Weight | 756.669 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU26933 |