![KAEMPFEROL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[6'''-O-SINAPOYL-BETA-D-GLUCOPYRANOSYL]-(1->2)-BETA-D-GALACTOPYRANOSIDE](/api/spectrum/FXs1ItKDEUD/structure.png?h=300&w=458 "KAEMPFEROL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[6'''-O-SINAPOYL-BETA-D-GLUCOPYRANOSYL]-(1->2)-BETA-D-GALACTOPYRANOSIDE")
| SpectraBase Compound ID | 2ebD7geZV6b |
|---|---|
| InChI | InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)62-15-26-39(67-42-36(58)33(55)30(52)24(13-45)64-42)35(57)37(59)43(66-26)69-41-34(56)31(53)25(14-46)65-44(41)68-40-32(54)28-20(49)11-19(48)12-21(28)63-38(40)17-4-6-18(47)7-5-17/h3-12,24-26,30-31,33-37,39,41-49,51-53,55-59H,13-15H2,1-2H3/b8-3+/t24-,25+,26+,30-,31-,33+,34-,35+,36-,37+,39+,41+,42+,43-,44-/m0/s1 |
| InChIKey | JYMWHEXNQLEKST-DDAMRTBBSA-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 | FXs1ItKDEUD |
|---|---|
| Name | KAEMPFEROL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[6'''-O-SINAPOYL-BETA-D-GLUCOPYRANOSYL]-(1->2)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 3 |
| 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)62-15-26-39(67-42-36(58)33(55)30(52)24(13-45)64-42)35(57)37(59)43(66-26)69-41-34(56)31(53)25(14-46)65-44(41)68-40-32(54)28-20(49)11-19(48)12-21(28)63-38(40)17-4-6-18(47)7-5-17/h3-12,24-26,30-31,33-37,39,41-49,51-53,55-59H,13-15H2,1-2H3/b8-3+/t24-,25+,26+,30-,31-,33+,34-,35+,36-,37+,39+,41+,42+,43-,44-/m0/s1 |
| InChIKey | JYMWHEXNQLEKST-DDAMRTBBSA-N |
| Literature Reference Author | F.ABE,Y.IWASE,T.YAMAUCHI,S.YAHARA,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,40,577(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00316-Y |
| Molecular Weight | 978.866 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN3618 |