| SpectraBase Compound ID | 7gm0hYn3nad |
|---|---|
| InChI | InChI=1S/C35H44O21/c1-11-22(38)26(42)29(45)33(51-11)50-10-21-25(41)28(44)31(47)35(56-21)54-19-8-14-15(52-32(19)12-4-17(48-2)23(39)18(5-12)49-3)6-13(37)7-16(14)53-34-30(46)27(43)24(40)20(9-36)55-34/h4-8,11,20-22,24-31,33-36,38,40-47H,9-10H2,1-3H3,(H-,37,39)/p+1/t11-,20-,21+,22-,24-,25+,26+,27+,28-,29+,30-,31+,33+,34-,35+/m1/s1 |
| InChIKey | JCSRMPOVJLVJEB-PNXJALIFSA-O |
| Mol Weight | 801.7 g/mol |
| Molecular Formula | C35H45O21 |
| Exact Mass | 801.245333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGzNRm78C40 |
|---|---|
| Name | MALVIDIN_3-O-(6''-O-ALPHA-RHAMNOPYRANOSYL-BETA-GLUCOPYRANOSIDE)-5-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H45O21 |
| InChI | InChI=1S/C35H44O21/c1-11-22(38)26(42)29(45)33(51-11)50-10-21-25(41)28(44)31(47)35(56-21)54-19-8-14-15(52-32(19)12-4-17(48-2)23(39)18(5-12)49-3)6-13(37)7-16(14)53-34-30(46)27(43)24(40)20(9-36)55-34/h4-8,11,20-22,24-31,33-36,38,40-47H,9-10H2,1-3H3,(H-,37,39)/p+1/t11-,20-,21+,22-,24-,25+,26+,27+,28-,29+,30-,31+,33+,34-,35+/m1/s1 |
| InChIKey | JCSRMPOVJLVJEB-PNXJALIFSA-O |
| Literature Reference Author | T.FOSSEN,S.RAYYAN,M.H.HOLMBERG,H.S.NATELAND,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,66,1133(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.04.009 |
| Molecular Weight | 801.730 g/mol |
| Solvent | CF3COOD:CD3OD=5:95 |
| Source File Reference | UWMZ22302 |