SpectraBase Compound ID | 1Yxm52c4jzj |
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InChI | InChI=1S/C36H36O20/c37-11-22-26(46)29(49)33(54-24(45)6-2-13-1-4-16(40)18(42)7-13)35(52-22)56-34-30(50)27(47)23(12-38)53-36(34)55-32-28(48)25-20(44)9-15(39)10-21(25)51-31(32)14-3-5-17(41)19(43)8-14/h1-10,22-23,26-27,29-30,33-44,46-47,49-50H,11-12H2/b6-2+/t22-,23-,26-,27-,29+,30+,33-,34-,35+,36+/m1/s1 |
InChIKey | NWOCYFGKUMMLPD-ZJNIXLGPSA-N |
Mol Weight | 788.7 g/mol |
Molecular Formula | C36H36O20 |
Exact Mass | 788.179994 g/mol |
SpectraBase Spectrum ID | LoXiGQaG0Hn |
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Name | QUERCETIN-3-O-(2-O-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE) |
Compound Number | 5 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C36H36O20 |
InChI | InChI=1S/C36H36O20/c37-11-22-26(46)29(49)33(54-24(45)6-2-13-1-4-16(40)18(42)7-13)35(52-22)56-34-30(50)27(47)23(12-38)53-36(34)55-32-28(48)25-20(44)9-15(39)10-21(25)51-31(32)14-3-5-17(41)19(43)8-14/h1-10,22-23,26-27,29-30,33-44,46-47,49-50H,11-12H2/b6-2+/t22-,23-,26-,27-,29+,30+,33-,34-,35+,36+/m1/s1 |
InChIKey | NWOCYFGKUMMLPD-ZJNIXLGPSA-N |
Literature Reference Author | S.J.BLOOR,J.M.BRADLEY,D.H.LEWIS,K.M.DAVIES |
Literature Reference Citation | PHYTOCHEM.,49,1427(1998) |
Literature Reference DOI | 10.1016/S0031-9422(98)00081-8 |
Molecular Weight | 788.670 g/mol |
Solvent | DMSO-D6 |
Source File Reference | UWLU596 |