![MALVIDIN_3-O-[6-(II)-O-ALPHA-RHAMNOPYRANOSYL-BETA-GLUCOPYRANOSIDE]-5-O-(6'''-O-MALONYL-BETA-GLUCOPYRANOSIDE)](/api/spectrum/75gYLeSuS1T/structure.png?h=300&w=458 "MALVIDIN_3-O-[6-(II)-O-ALPHA-RHAMNOPYRANOSYL-BETA-GLUCOPYRANOSIDE]-5-O-(6'''-O-MALONYL-BETA-GLUCOPYRANOSIDE)")
| SpectraBase Compound ID | E8DGGvW905V |
|---|---|
| InChI | InChI=1S/C38H46O24/c1-12-25(43)29(47)32(50)36(57-12)56-11-22-28(46)31(49)34(52)38(62-22)60-20-8-15-16(58-35(20)13-4-18(53-2)26(44)19(5-13)54-3)6-14(39)7-17(15)59-37-33(51)30(48)27(45)21(61-37)10-55-24(42)9-23(40)41/h4-8,12,21-22,25,27-34,36-38,43,45-52H,9-11H2,1-3H3,(H2-,39,40,41,44)/p+1/t12-,21-,22+,25-,27-,28+,29+,30+,31-,32+,33-,34+,36+,37-,38+/m1/s1 |
| InChIKey | NQHOVUXXRSORBV-ASYNPHTKSA-O |
| Mol Weight | 887.8 g/mol |
| Molecular Formula | C38H47O24 |
| Exact Mass | 887.245727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75gYLeSuS1T |
|---|---|
| Name | MALVIDIN_3-O-[6-(II)-O-ALPHA-RHAMNOPYRANOSYL-BETA-GLUCOPYRANOSIDE]-5-O-(6'''-O-MALONYL-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H47O24 |
| InChI | InChI=1S/C38H46O24/c1-12-25(43)29(47)32(50)36(57-12)56-11-22-28(46)31(49)34(52)38(62-22)60-20-8-15-16(58-35(20)13-4-18(53-2)26(44)19(5-13)54-3)6-14(39)7-17(15)59-37-33(51)30(48)27(45)21(61-37)10-55-24(42)9-23(40)41/h4-8,12,21-22,25,27-34,36-38,43,45-52H,9-11H2,1-3H3,(H2-,39,40,41,44)/p+1/t12-,21-,22+,25-,27-,28+,29+,30+,31-,32+,33-,34+,36+,37-,38+/m1/s1 |
| InChIKey | NQHOVUXXRSORBV-ASYNPHTKSA-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 | 887.777 g/mol |
| Solvent | CF3COOD:CD3OD=5:95 |
| Source File Reference | UWMZ22304 |