![QUERCETAGETIN-7-METHYLETHER-3-O-[2-O-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCURONOPYRANOSIDE]](/api/spectrum/G9gyRhByuh4/structure.png?h=300&w=458 "QUERCETAGETIN-7-METHYLETHER-3-O-[2-O-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCURONOPYRANOSIDE]")
| SpectraBase Compound ID | CAhjLoxYVZs |
|---|---|
| InChI | InChI=1S/C37H36O22/c1-53-19-10-18-22(25(46)23(19)44)26(47)31(30(54-18)13-4-6-15(40)17(42)9-13)57-36-29(50)28(49)32(34(59-36)35(51)52)58-37-33(27(48)24(45)20(11-38)55-37)56-21(43)7-3-12-2-5-14(39)16(41)8-12/h2-10,20,24,27-29,32-34,36-42,44-46,48-50H,11H2,1H3,(H,51,52)/b7-3+/t20-,24-,27+,28+,29+,32-,33-,34-,36+,37+/m0/s1 |
| InChIKey | ROSPRFIAUPZHAP-SOTHPIPZSA-N |
| Mol Weight | 832.7 g/mol |
| Molecular Formula | C37H36O22 |
| Exact Mass | 832.169823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9gyRhByuh4 |
|---|---|
| Name | QUERCETAGETIN-7-METHYLETHER-3-O-[2-O-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCURONOPYRANOSIDE] |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H36O22 |
| InChI | InChI=1S/C37H36O22/c1-53-19-10-18-22(25(46)23(19)44)26(47)31(30(54-18)13-4-6-15(40)17(42)9-13)57-36-29(50)28(49)32(34(59-36)35(51)52)58-37-33(27(48)24(45)20(11-38)55-37)56-21(43)7-3-12-2-5-14(39)16(41)8-12/h2-10,20,24,27-29,32-34,36-42,44-46,48-50H,11H2,1H3,(H,51,52)/b7-3+/t20-,24-,27+,28+,29+,32-,33-,34-,36+,37+/m0/s1 |
| InChIKey | ROSPRFIAUPZHAP-SOTHPIPZSA-N |
| Literature Reference Author | W.VILEGAS,C.J.NEHME,A.L.DOKKEDDAL,S.PIACENTE,L.RASTRELLI,C.P IZZA |
| Literature Reference Citation | PHYTOCHEM.,51,403(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00009-6 |
| Molecular Weight | 832.680 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWUC316 |