![MALVIDIN-3-[6-(3-HYDROXY-3-METHYLGLUTAROYL)-GLUCOPYRANOSIDE]](/api/spectrum/LOlVMR8j8NK/structure.png?h=300&w=458 "MALVIDIN-3-[6-(3-HYDROXY-3-METHYLGLUTAROYL)-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | 5WCFEqEnoAQ |
|---|---|
| InChI | InChI=1S/C29H32O16/c1-29(39,9-21(32)33)10-22(34)42-11-20-24(36)25(37)26(38)28(45-20)44-19-8-14-15(31)6-13(30)7-16(14)43-27(19)12-4-17(40-2)23(35)18(5-12)41-3/h4-8,20,24-26,28,36-39H,9-11H2,1-3H3,(H3-,30,31,32,33,35)/p+1/t20-,24-,25+,26-,28-,29?/m0/s1 |
| InChIKey | OHMXNDBJIHLUDL-ZSAKGFEJSA-O |
| Mol Weight | 637.6 g/mol |
| Molecular Formula | C29H33O16 |
| Exact Mass | 637.17686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LOlVMR8j8NK |
|---|---|
| Name | MALVIDIN-3-[6-(3-HYDROXY-3-METHYLGLUTAROYL)-GLUCOPYRANOSIDE] |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H33O16 |
| InChI | InChI=1S/C29H32O16/c1-29(39,9-21(32)33)10-22(34)42-11-20-24(36)25(37)26(38)28(45-20)44-19-8-14-15(31)6-13(30)7-16(14)43-27(19)12-4-17(40-2)23(35)18(5-12)41-3/h4-8,20,24-26,28,36-39H,9-11H2,1-3H3,(H3-,30,31,32,33,35)/p+1/t20-,24-,25+,26-,28-,29?/m0/s1 |
| InChIKey | OHMXNDBJIHLUDL-ZSAKGFEJSA-O |
| Literature Reference Author | F.TATSUZAWA,N.SAITO,Y.MIKANAGI,K.SHINODA,K.TOKI,A.SHIGIHARA, T.HONDA |
| Literature Reference Citation | PHYTOCHEM.,70,672(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.03.005 |
| Molecular Weight | 637.571 g/mol |
| Sample ID | 64646 |
| Solvent | D2SO4 |