| SpectraBase Compound ID | 9FSpxo2yRBc |
|---|---|
| InChI | InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1 |
| InChIKey | CCQDWIRWKWIUKK-QKYBYQKWSA-O |
| Mol Weight | 479.41 g/mol |
| Molecular Formula | C22H23O12 |
| Exact Mass | 479.118951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Esx4XIeq1ic |
|---|---|
| Name | PETUNIDIN-3-O-BETA-GLUCOPYARNOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H23O12 |
| InChI | InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1 |
| InChIKey | CCQDWIRWKWIUKK-QKYBYQKWSA-O |
| Literature Reference Author | L.L.SUN,W.GAO,M.M.ZHANG,C.LI,A.G.WANG,Y.L.SU,T.F.JI |
| Literature Reference Citation | MOLECULES,19,19078(2014) |
| Literature Reference DOI | 10.3390/molecules191119078 |
| Molecular Weight | 479.417 g/mol |
| Solvent | CD3OD:TFA-D=7:1 |
| Source File Reference | UWLU81582 |