![PATULETIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-2-O-(E)-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/BgGQH0ZfflV/structure.png?h=300&w=458 "PATULETIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-2-O-(E)-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | 9PCM64IqKZF |
|---|---|
| InChI | InChI=1S/C43H48O26/c1-61-37-20(50)10-21-26(30(37)55)31(56)39(36(63-21)15-4-6-17(47)19(49)9-15)69-42-35(60)33(58)28(53)24(66-42)13-62-43-40(67-25(51)7-3-14-2-5-16(46)18(48)8-14)38(29(54)23(12-45)65-43)68-41-34(59)32(57)27(52)22(11-44)64-41/h2-10,22-24,27-29,32-35,38,40-50,52-55,57-60H,11-13H2,1H3/b7-3+/t22-,23-,24-,27-,28-,29-,32+,33+,34-,35-,38+,40-,41+,42+,43-/m1/s1 |
| InChIKey | JEJIOWVHBJKOAM-JJXVLYISSA-N |
| Mol Weight | 980.8 g/mol |
| Molecular Formula | C43H48O26 |
| Exact Mass | 980.243382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BgGQH0ZfflV |
|---|---|
| Name | PATULETIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-2-O-(E)-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H48O26 |
| InChI | InChI=1S/C43H48O26/c1-61-37-20(50)10-21-26(30(37)55)31(56)39(36(63-21)15-4-6-17(47)19(49)9-15)69-42-35(60)33(58)28(53)24(66-42)13-62-43-40(67-25(51)7-3-14-2-5-16(46)18(48)8-14)38(29(54)23(12-45)65-43)68-41-34(59)32(57)27(52)22(11-44)64-41/h2-10,22-24,27-29,32-35,38,40-50,52-55,57-60H,11-13H2,1H3/b7-3+/t22-,23-,24-,27-,28-,29-,32+,33+,34-,35-,38+,40-,41+,42+,43-/m1/s1 |
| InChIKey | JEJIOWVHBJKOAM-JJXVLYISSA-N |
| Literature Reference Author | J.J.FANG,G.YE,W.L.CHEN,W.M.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,69,1279(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.11.014 |
| Molecular Weight | 980.839 g/mol |
| Sample ID | 44020 |
| Solvent | DMSO-D6 |