| SpectraBase Compound ID | 66XQWUUG5Ye |
|---|---|
| InChI | InChI=1S/C38H41NO22/c40-10-21-25(46)29(50)34(61-36-30(51)24(45)18(44)11-55-36)38(58-21)60-33-27(48)23-17(43)7-15(41)8-20(23)56-32(33)13-3-4-16(42)19(6-13)57-37-31(52)28(49)26(47)22(59-37)12-54-35(53)14-2-1-5-39-9-14/h1-9,18,21-22,24-26,28-31,34,36-38,40-47,49-52H,10-12H2/t18-,21-,22-,24+,25-,26-,28+,29+,30-,31-,34-,36+,37-,38+/m1/s1 |
| InChIKey | RDRJCXDWSLUKGQ-BDXGOCOQSA-N |
| Mol Weight | 863.7 g/mol |
| Molecular Formula | C38H41NO22 |
| Exact Mass | 863.212022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12iM1YZlcLR |
|---|---|
| Name | QUERCETIN-3-O-BETA-XYLOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSIDE-3'-O-(6-O-NICOTIN-OYL)-BETA-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H41NO22 |
| InChI | InChI=1S/C38H41NO22/c40-10-21-25(46)29(50)34(61-36-30(51)24(45)18(44)11-55-36)38(58-21)60-33-27(48)23-17(43)7-15(41)8-20(23)56-32(33)13-3-4-16(42)19(6-13)57-37-31(52)28(49)26(47)22(59-37)12-54-35(53)14-2-1-5-39-9-14/h1-9,18,21-22,24-26,28-31,34,36-38,40-47,49-52H,10-12H2/t18-,21-,22-,24+,25-,26-,28+,29+,30-,31-,34-,36+,37-,38+/m1/s1 |
| InChIKey | RDRJCXDWSLUKGQ-BDXGOCOQSA-N |
| Literature Reference Author | G.HUEBNER,V.WRAY,A.NAHRSTEDT |
| Literature Reference Citation | PLANTA.MED.,65,636(1999) |
| Literature Reference DOI | 10.1055/s-1999-14038 |
| Molecular Weight | 863.737 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP1317 |