| SpectraBase Compound ID | F2v2KltdxOS |
|---|---|
| InChI | InChI=1S/C40H40O21/c1-54-25-10-17(2-8-22(25)43)3-9-30(46)55-15-27-32(48)35(51)37(53)40(61-27)59-26-13-21-23(57-38(26)18-4-6-19(41)7-5-18)11-20(42)12-24(21)58-39-36(52)34(50)33(49)28(60-39)16-56-31(47)14-29(44)45/h2-13,27-28,32-37,39-40,48-53H,14-16H2,1H3,(H3-,41,42,43,44,45,46)/p+1/t27-,28-,32-,33-,34+,35+,36-,37-,39-,40-/m0/s1 |
| InChIKey | ZWBURTPIYLFHIK-DVXDMXFDSA-O |
| Mol Weight | 857.7 g/mol |
| Molecular Formula | C40H41O21 |
| Exact Mass | 857.214033 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jmz0gOXgg9L |
|---|---|
| Name | PELARGONIDIN-3-O-(6-O-FERULOYL-BETA-D-GLUCOPYRANOSIDE)-5-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H41O21 |
| InChI | InChI=1S/C40H40O21/c1-54-25-10-17(2-8-22(25)43)3-9-30(46)55-15-27-32(48)35(51)37(53)40(61-27)59-26-13-21-23(57-38(26)18-4-6-19(41)7-5-18)11-20(42)12-24(21)58-39-36(52)34(50)33(49)28(60-39)16-56-31(47)14-29(44)45/h2-13,27-28,32-37,39-40,48-53H,14-16H2,1H3,(H3-,41,42,43,44,45,46)/p+1/t27-,28-,32-,33-,34+,35+,36-,37-,39-,40-/m0/s1 |
| InChIKey | ZWBURTPIYLFHIK-DVXDMXFDSA-O |
| Literature Reference Author | K.HOSOKAWA,Y.FUKUNAGA,E.FUKUSHI,J.KAWABATA |
| Literature Reference Citation | PHYTOCHEM.,40,567(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00312-U |
| Molecular Weight | 857.753 g/mol |
| Solvent | CD3OD:TFA-D=9:1 |
| Source File Reference | UWVN3611 |