![KAEMPFEROL-3-O-BETA-D-[2'''-O-(E)-CAFFEOYL]-GLUCOPYRANOSYL-(1'''->2'')-O-ALPHA-L-ARABINOPYRANOSIDE-7-O-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/E25GCQjaopW/structure.png?h=300&w=458 "KAEMPFEROL-3-O-BETA-D-[2'''-O-(E)-CAFFEOYL]-GLUCOPYRANOSYL-(1'''->2'')-O-ALPHA-L-ARABINOPYRANOSIDE-7-O-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 9kBJfONrgQR |
|---|---|
| InChI | InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-3-5-17(44)6-4-16)36(31(27)53)63-40-37(28(50)22(48)14-57-40)64-41-38(33(55)30(52)25(13-43)61-41)62-26(49)8-2-15-1-7-19(45)20(46)9-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-2+/t22-,24-,25+,28-,29-,30+,32+,33-,34-,37+,38+,39-,40-,41-/m0/s1 |
| InChIKey | DCODQUYICIICMF-SYQHQNFLSA-N |
| Mol Weight | 904.8 g/mol |
| Molecular Formula | C41H44O23 |
| Exact Mass | 904.227338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E25GCQjaopW |
|---|---|
| Name | KAEMPFEROL-3-O-BETA-D-[2'''-O-(E)-CAFFEOYL]-GLUCOPYRANOSYL-(1'''->2'')-O-ALPHA-L-ARABINOPYRANOSIDE-7-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H44O23 |
| InChI | InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-3-5-17(44)6-4-16)36(31(27)53)63-40-37(28(50)22(48)14-57-40)64-41-38(33(55)30(52)25(13-43)61-41)62-26(49)8-2-15-1-7-19(45)20(46)9-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-2+/t22-,24-,25+,28-,29-,30+,32+,33-,34-,37+,38+,39-,40-,41-/m0/s1 |
| InChIKey | DCODQUYICIICMF-SYQHQNFLSA-N |
| Literature Reference Author | F.GELLER,R.MURILLO,L.STEINHAUSER,B.HEINZMANN,K.ALBERT,I.MERF ORT,S.LAUFER |
| Literature Reference Citation | MOLECULES,19,6727(2014) |
| Literature Reference DOI | 10.3390/molecules19056727 |
| Molecular Weight | 904.787 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR14524 |