![PATULETIN-3-O-[2-O-(E)-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/31CB53BAKr1/structure.png?h=300&w=458 "PATULETIN-3-O-[2-O-(E)-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | 3vdu4m1o3JL |
|---|---|
| InChI | InChI=1S/C38H40O21/c1-52-20-9-14(3-6-17(20)41)4-8-24(44)58-36-31(50)26(45)22(12-39)56-38(36)54-13-23-27(46)30(49)32(51)37(57-23)59-35-29(48)25-21(11-19(43)34(53-2)28(25)47)55-33(35)15-5-7-16(40)18(42)10-15/h3-11,22-23,26-27,30-32,36-43,45-47,49-51H,12-13H2,1-2H3/b8-4+/t22-,23-,26-,27-,30+,31+,32-,36-,37+,38-/m1/s1 |
| InChIKey | XEJAITZKDSZMCM-KMRSNLMRSA-N |
| Mol Weight | 832.7 g/mol |
| Molecular Formula | C38H40O21 |
| Exact Mass | 832.206208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31CB53BAKr1 |
|---|---|
| Name | PATULETIN-3-O-[2-O-(E)-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H40O21 |
| InChI | InChI=1S/C38H40O21/c1-52-20-9-14(3-6-17(20)41)4-8-24(44)58-36-31(50)26(45)22(12-39)56-38(36)54-13-23-27(46)30(49)32(51)37(57-23)59-35-29(48)25-21(11-19(43)34(53-2)28(25)47)55-33(35)15-5-7-16(40)18(42)10-15/h3-11,22-23,26-27,30-32,36-43,45-47,49-51H,12-13H2,1-2H3/b8-4+/t22-,23-,26-,27-,30+,31+,32-,36-,37+,38-/m1/s1 |
| InChIKey | XEJAITZKDSZMCM-KMRSNLMRSA-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 | 832.723 g/mol |
| Sample ID | 44019 |
| Solvent | DMSO-D6 |