![QUERCETIN-3-O-[2''-O-(6'''-O-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-L-RHAMNOPYRANOSYL-7-O-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/4xSInSWyRuB/structure.png?h=300&w=458 "QUERCETIN-3-O-[2''-O-(6'''-O-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-L-RHAMNOPYRANOSYL-7-O-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 4I4LYbicmZc |
|---|---|
| InChI | InChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16)42(59-15)64-38-31(52)27-22(47)11-19(60-40-35(56)32(53)29(50)24(13-43)62-40)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24-,25+,28-,29-,30+,32+,33-,34+,35-,36+,39+,40-,41-,42-/m1/s1 |
| InChIKey | SHRUKDVTMUBNTL-JBSLXASKSA-N |
| Mol Weight | 918.8 g/mol |
| Molecular Formula | C42H46O23 |
| Exact Mass | 918.242988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xSInSWyRuB |
|---|---|
| Name | QUERCETIN-3-O-[2''-O-(6'''-O-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-L-RHAMNOPYRANOSYL-7-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O23 |
| InChI | InChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16)42(59-15)64-38-31(52)27-22(47)11-19(60-40-35(56)32(53)29(50)24(13-43)62-40)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24-,25+,28-,29-,30+,32+,33-,34+,35-,36+,39+,40-,41-,42-/m1/s1 |
| InChIKey | SHRUKDVTMUBNTL-JBSLXASKSA-N |
| Literature Reference Author | A.HASLER,G.A.GROSS,B.MEIER,O.STICHER |
| Literature Reference Citation | PHYTOCHEM.,31,1391(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80298-S |
| Molecular Weight | 918.813 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN5241 |