| SpectraBase Compound ID | rC0coXi1aX |
|---|---|
| InChI | InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m0/s1 |
| InChIKey | SLCKJKWFULXZBD-ZVZNDBOMSA-O |
| Mol Weight | 595.53 g/mol |
| Molecular Formula | C27H31O15 |
| Exact Mass | 595.166295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Fe5qq0PExj |
|---|---|
| Name | PELARGONIDIN_3-O,5-O-DI-BETA-D-GLUCOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31O15 |
| InChI | InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m0/s1 |
| InChIKey | SLCKJKWFULXZBD-ZVZNDBOMSA-O |
| Literature Reference Author | K.HOSOKAWA,Y.FUKUNAGA,E.FUKUSHI,J.KAWABATA |
| Literature Reference Citation | PHYTOCHEM.,39,1437(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00140-3 |
| Molecular Weight | 595.534 g/mol |
| Solvent | CD3OD:TFA-D=9:1 |
| Source File Reference | UWMZ7860 |