![MALVIDIN_3-O-[6-(II)-O-(4''''-O-MALONYL-ALPHA-RHAMNOPYRANOSYL)-BETA-GLUCOPYRANOSIDE]-5-O-(6'''-O-MALONYL-BETA-GLUCOPYRANOSIDE)](/api/spectrum/C6iXF93y1Ln/structure.png?h=300&w=458 "MALVIDIN_3-O-[6-(II)-O-(4''''-O-MALONYL-ALPHA-RHAMNOPYRANOSYL)-BETA-GLUCOPYRANOSIDE]-5-O-(6'''-O-MALONYL-BETA-GLUCOPYRANOSIDE)")
| SpectraBase Compound ID | 9AeuwbsD3ZT |
|---|---|
| InChI | InChI=1S/C41H48O27/c1-13-37(68-27(48)10-25(45)46)33(54)36(57)39(62-13)61-12-23-30(51)32(53)35(56)41(67-23)65-21-8-16-17(63-38(21)14-4-19(58-2)28(49)20(5-14)59-3)6-15(42)7-18(16)64-40-34(55)31(52)29(50)22(66-40)11-60-26(47)9-24(43)44/h4-8,13,22-23,29-37,39-41,50-57H,9-12H2,1-3H3,(H3-,42,43,44,45,46,49)/p+1/t13-,22-,23+,29-,30+,31+,32-,33-,34-,35+,36+,37-,39+,40-,41+/m1/s1 |
| InChIKey | DKMCQLLKQIUMOU-GTFFCIKUSA-O |
| Mol Weight | 973.8 g/mol |
| Molecular Formula | C41H49O27 |
| Exact Mass | 973.246121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C6iXF93y1Ln |
|---|---|
| Name | MALVIDIN_3-O-[6-(II)-O-(4''''-O-MALONYL-ALPHA-RHAMNOPYRANOSYL)-BETA-GLUCOPYRANOSIDE]-5-O-(6'''-O-MALONYL-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H49O27 |
| InChI | InChI=1S/C41H48O27/c1-13-37(68-27(48)10-25(45)46)33(54)36(57)39(62-13)61-12-23-30(51)32(53)35(56)41(67-23)65-21-8-16-17(63-38(21)14-4-19(58-2)28(49)20(5-14)59-3)6-15(42)7-18(16)64-40-34(55)31(52)29(50)22(66-40)11-60-26(47)9-24(43)44/h4-8,13,22-23,29-37,39-41,50-57H,9-12H2,1-3H3,(H3-,42,43,44,45,46,49)/p+1/t13-,22-,23+,29-,30+,31+,32-,33-,34-,35+,36+,37-,39+,40-,41+/m1/s1 |
| InChIKey | DKMCQLLKQIUMOU-GTFFCIKUSA-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 | 973.824 g/mol |
| Solvent | CF3COOD:CD3OD=5:95 |
| Source File Reference | UWMZ22305 |