| SpectraBase Compound ID | LZHzp56s0uL |
|---|---|
| InChI | InChI=1S/C37H38O18/c1-49-24-10-16(2-8-21(24)41)3-9-28(42)50-15-27-30(44)32(46)34(48)37(55-27)53-25-13-20-22(51-35(25)17-4-6-18(39)7-5-17)11-19(40)12-23(20)52-36-33(47)31(45)29(43)26(14-38)54-36/h2-13,26-27,29-34,36-38,43-48H,14-15H2,1H3,(H2-,39,40,41,42)/p+1/t26-,27-,29-,30-,31+,32+,33-,34-,36-,37-/m1/s1 |
| InChIKey | PXLHGVJUPQEPEJ-OTOOEMNYSA-O |
| Mol Weight | 771.7 g/mol |
| Molecular Formula | C37H39O18 |
| Exact Mass | 771.213639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCvOSo1kxLS |
|---|---|
| Name | PELARGONIDIN-3-O-(6-O-FERULOYL-BETA-D-GLUCOPYRANOSIDE)-5-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H39O18 |
| InChI | InChI=1S/C37H38O18/c1-49-24-10-16(2-8-21(24)41)3-9-28(42)50-15-27-30(44)32(46)34(48)37(55-27)53-25-13-20-22(51-35(25)17-4-6-18(39)7-5-17)11-19(40)12-23(20)52-36-33(47)31(45)29(43)26(14-38)54-36/h2-13,26-27,29-34,36-38,43-48H,14-15H2,1H3,(H2-,39,40,41,42)/p+1/t26-,27-,29-,30-,31+,32+,33-,34-,36-,37-/m1/s1 |
| InChIKey | PXLHGVJUPQEPEJ-OTOOEMNYSA-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 | 771.706 g/mol |
| Solvent | CD3OD:TFA-D=9:1 |
| Source File Reference | UWVN3609 |