![KAEMPFEROL-3-O-BETA-D-[2E-SINAPOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/IYSsQwJ49hw/structure.png?h=300&w=458 "KAEMPFEROL-3-O-BETA-D-[2E-SINAPOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 4xuia3UBeJD |
|---|---|
| InChI | InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)25(14-46)65-43(40)69-41-36(58)32(54)26(15-47)66-44(41)68-39-33(55)28-20(49)11-19(62-42-37(59)34(56)30(52)24(13-45)64-42)12-21(28)63-38(39)17-4-6-18(48)7-5-17/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3/b8-3+/t24-,25+,26+,30-,31+,32+,34+,35-,36-,37-,40+,41+,42-,43-,44-/m0/s1 |
| InChIKey | YXXQWPJFPHUNRF-FOZYTMMCSA-N |
| Mol Weight | 978.9 g/mol |
| Molecular Formula | C44H50O25 |
| Exact Mass | 978.264117 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYSsQwJ49hw |
|---|---|
| Name | KAEMPFEROL-3-O-BETA-D-[2E-SINAPOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-GLUCOPYRANOSYDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H50O25 |
| InChI | InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)25(14-46)65-43(40)69-41-36(58)32(54)26(15-47)66-44(41)68-39-33(55)28-20(49)11-19(62-42-37(59)34(56)30(52)24(13-45)64-42)12-21(28)63-38(39)17-4-6-18(48)7-5-17/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3/b8-3+/t24-,25+,26+,30-,31+,32+,34+,35-,36-,37-,40+,41+,42-,43-,44-/m0/s1 |
| InChIKey | YXXQWPJFPHUNRF-FOZYTMMCSA-N |
| Literature Reference Author | J.K.NIELSEN,R.NORBAEK,C.E.OLSEN |
| Literature Reference Citation | PHYTOCHEM.,49,2171(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00422-1 |
| Molecular Weight | 978.866 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU958 |