| SpectraBase Compound ID | FRFV37j9OCx |
|---|---|
| InChI | InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1 |
| InChIKey | USNPULRDBDVJAO-FXCAAIILSA-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 | 6uglluX5uSa |
|---|---|
| Name | CYANIDIN-3-RUTINOSIDE;CYANIDIN-3-[6''-(O-ALPHA-L-RHAMNOPYRANOSYL)-O-BETA-D-GLUCOPYRANOSIDE] |
| 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/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1 |
| InChIKey | USNPULRDBDVJAO-FXCAAIILSA-O |
| Literature Reference Author | Y.SAKAGUCHI,Y.OZAKI,I.MIYAJIMA,M.YAMAGUCHI,Y.FUKUI,K.IWASA,S .MOTOKI,T.SUZUKI,H.O |
| Literature Reference Citation | PHYTOCHEM.,69,1763(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.02.021 |
| Molecular Weight | 595.534 g/mol |
| Sample ID | 44148 |
| Solvent | TFA-D8:CD3OD=1:9 |