| SpectraBase Compound ID | K7RSawbEKi2 |
|---|---|
| InChI | InChI=1S/C35H44O22/c1-10-19(39)23(43)26(46)33(52-10)51-9-17-21(41)25(45)28(48)35(55-17)57-32-22(42)18-13(38)7-15(53-34-27(47)24(44)20(40)16(8-36)54-34)30(50-3)31(18)56-29(32)11-4-5-12(37)14(6-11)49-2/h4-7,10,16-17,19-21,23-28,33-41,43-48H,8-9H2,1-3H3/t10-,16-,17+,19-,20-,21+,23+,24+,25-,26+,27-,28+,33+,34-,35-/m1/s1 |
| InChIKey | ZYMWMZFDSLSZLA-QAHNITJPSA-N |
| Mol Weight | 816.7 g/mol |
| Molecular Formula | C35H44O22 |
| Exact Mass | 816.232423 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEIvo0MqEgf |
|---|---|
| Name | LIMOCITRIN-3-O-RUTINOSIDE-7-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44O22 |
| InChI | InChI=1S/C35H44O22/c1-10-19(39)23(43)26(46)33(52-10)51-9-17-21(41)25(45)28(48)35(55-17)57-32-22(42)18-13(38)7-15(53-34-27(47)24(44)20(40)16(8-36)54-34)30(50-3)31(18)56-29(32)11-4-5-12(37)14(6-11)49-2/h4-7,10,16-17,19-21,23-28,33-41,43-48H,8-9H2,1-3H3/t10-,16-,17+,19-,20-,21+,23+,24+,25-,26+,27-,28+,33+,34-,35-/m1/s1 |
| InChIKey | ZYMWMZFDSLSZLA-QAHNITJPSA-N |
| Literature Reference Author | H.ITO,E.NISHITANI,T.KONOSHIMA,M.TAKASAKI,M.KOZUKA,T.YOSHIDA |
| Literature Reference Citation | PHYTOCHEM.,54,695(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00192-8 |
| Molecular Weight | 816.721 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU1408 |