| SpectraBase Compound ID | FPdIQKiOzM0 |
|---|---|
| InChI | InChI=1S/C31H32O18/c32-12-3-1-11(2-4-12)28-18-7-14-16(45-28)5-13(33)6-17(14)46-30-26(40)25(39)23(37)20(49-30)10-44-29(42)15(34)8-21(35)43-9-19-22(36)24(38)27(41)31(47-18)48-19/h1-7,15,19-20,22-27,30-31,34,36-41H,8-10H2,(H-,32,33)/p+1/t15?,19-,20+,22-,23+,24+,25-,26+,27-,30+,31-/m1/s1 |
| InChIKey | MDSZBCFPVUABGB-IARMHKLFSA-O |
| Mol Weight | 693.6 g/mol |
| Molecular Formula | C31H33O18 |
| Exact Mass | 693.166689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FnP2wiFtQrB |
|---|---|
| Name | 3,5-DI-O-(BETA-GLUCOPYRANOSYL)-PERLARGONIDIN-6''-O-4,6'''-O-1-CYCLIC-MALATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H33O18 |
| InChI | InChI=1S/C31H32O18/c32-12-3-1-11(2-4-12)28-18-7-14-16(45-28)5-13(33)6-17(14)46-30-26(40)25(39)23(37)20(49-30)10-44-29(42)15(34)8-21(35)43-9-19-22(36)24(38)27(41)31(47-18)48-19/h1-7,15,19-20,22-27,30-31,34,36-41H,8-10H2,(H-,32,33)/p+1/t15?,19-,20+,22-,23+,24+,25-,26+,27-,30+,31-/m1/s1 |
| InChIKey | MDSZBCFPVUABGB-IARMHKLFSA-O |
| Literature Reference Author | M.NAKAYAMA,M.KOSHIOKA,H.YOSHIDA,Y.KAN,Y.FUKUI,A.KOIKE,M.A.YA MAGUCHI |
| Literature Reference Citation | PHYTOCHEM.,55,937(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00263-6 |
| Molecular Weight | 693.592 g/mol |
| Solvent | CD3OD:TFA=9:1 |