![KAEMPFEROL-3-O-BETA-D-[2E-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/DyCMcmRxoJj/structure.png?h=300&w=458 "KAEMPFEROL-3-O-BETA-D-[2E-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 8ynJYCdKibu |
|---|---|
| InChI | InChI=1S/C42H46O24/c43-12-23-28(51)32(55)35(58)40(61-23)59-18-10-21(49)27-22(11-18)60-36(16-3-5-17(46)6-4-16)37(31(27)54)65-42-39(34(57)30(53)25(14-45)63-42)66-41-38(33(56)29(52)24(13-44)62-41)64-26(50)8-2-15-1-7-19(47)20(48)9-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-2+/t23-,24+,25+,28-,29+,30+,32+,33-,34-,35-,38+,39+,40-,41-,42-/m0/s1 |
| InChIKey | VJUZSHIQLQQUEB-VRUBLOGNSA-N |
| Mol Weight | 934.8 g/mol |
| Molecular Formula | C42H46O24 |
| Exact Mass | 934.237902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DyCMcmRxoJj |
|---|---|
| Name | KAEMPFEROL-3-O-BETA-D-[2E-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-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 | C42H46O24 |
| InChI | InChI=1S/C42H46O24/c43-12-23-28(51)32(55)35(58)40(61-23)59-18-10-21(49)27-22(11-18)60-36(16-3-5-17(46)6-4-16)37(31(27)54)65-42-39(34(57)30(53)25(14-45)63-42)66-41-38(33(56)29(52)24(13-44)62-41)64-26(50)8-2-15-1-7-19(47)20(48)9-15/h1-11,23-25,28-30,32-35,38-49,51-53,55-58H,12-14H2/b8-2+/t23-,24+,25+,28-,29+,30+,32+,33-,34-,35-,38+,39+,40-,41-,42-/m0/s1 |
| InChIKey | VJUZSHIQLQQUEB-VRUBLOGNSA-N |
| Literature Reference Author | J.K.NIELSEN,C.E.OLSEN,M.K.PETERSEN |
| Literature Reference Citation | PHYTOCHEM.,34,539(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)80042-Q |
| Molecular Weight | 934.813 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU7385 |