![QUERCETIN-3-O-NEOHESPERIDOSIDE;3-[[2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL]-OXY]-5,7-DIHYDROXY-2-(3,4-DIHYDROXY-PHENYL)-4H-1-BEN](/api/spectrum/LWh5iy7s6u0/structure.png?h=300&w=458 "QUERCETIN-3-O-NEOHESPERIDOSIDE;3-[[2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL]-OXY]-5,7-DIHYDROXY-2-(3,4-DIHYDROXY-PHENYL)-4H-1-BEN")
| SpectraBase Compound ID | 6jIqWXH37b6 |
|---|---|
| InChI | InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,25+,26-,27-/m1/s1 |
| InChIKey | FYBMGZSDYDNBFX-HZZZSAJHSA-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 | LWh5iy7s6u0 |
|---|---|
| Name | QUERCETIN-3-O-NEOHESPERIDOSIDE;3-[[2-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL]-OXY]-5,7-DIHYDROXY-2-(3,4-DIHYDROXY-PHENYL)-4H-1-BEN |
| 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(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,25+,26-,27-/m1/s1 |
| InChIKey | FYBMGZSDYDNBFX-HZZZSAJHSA-N |
| Literature Reference Author | B.P.D.SILVA,R.R.BERNARDO,J.P.PARENTE |
| Literature Reference Citation | PHYTOCHEM.,53,87(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00441-0 |
| Molecular Weight | 610.526 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU1588 |