| SpectraBase Compound ID | 8TTDKfiSqbh |
|---|---|
| InChI | InChI=1S/C35H44O21/c1-11-21(38)25(42)28(45)33(51-11)50-10-19-23(40)27(44)30(47)35(55-19)56-32-24(41)20-16(52-31(32)12-4-5-15(49-3)14(37)6-12)7-13(48-2)8-17(20)53-34-29(46)26(43)22(39)18(9-36)54-34/h4-8,11,18-19,21-23,25-30,33-40,42-47H,9-10H2,1-3H3/t11-,18+,19+,21-,22+,23+,25+,26-,27-,28+,29+,30+,33+,34+,35-/m0/s1 |
| InChIKey | UOOULRKANCNCRM-QJJZTEDHSA-N |
| Mol Weight | 800.7 g/mol |
| Molecular Formula | C35H44O21 |
| Exact Mass | 800.237508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L1VOnwydYwn |
|---|---|
| Name | 4',7-DI-O-METHYL-QUERCETIN-3-O-RUTINOSIDE-5-O-BETA-D-GLUCOPYRANOSIDE;OMBUIN-3-O-RUTINOSIDE-5-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44O21 |
| InChI | InChI=1S/C35H44O21/c1-11-21(38)25(42)28(45)33(51-11)50-10-19-23(40)27(44)30(47)35(55-19)56-32-24(41)20-16(52-31(32)12-4-5-15(49-3)14(37)6-12)7-13(48-2)8-17(20)53-34-29(46)26(43)22(39)18(9-36)54-34/h4-8,11,18-19,21-23,25-30,33-40,42-47H,9-10H2,1-3H3/t11-,18+,19+,21-,22+,23+,25+,26-,27-,28+,29+,30+,33+,34+,35-/m0/s1 |
| InChIKey | UOOULRKANCNCRM-QJJZTEDHSA-N |
| Literature Reference Author | C.H.D.ALBUQUERQUE,J.F.TAVARES,S.L.D.OLIVEIRA,T.S.SILVA,G.F.G ONCALVES |
| Literature Reference Citation | QUIM.NOVA,37,663(2014) |
| Molecular Weight | 800.722 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR11939 |