| SpectraBase Compound ID | HPsoRnWtnH4 |
|---|---|
| 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-/m0/s1 |
| InChIKey | CCQDWIRWKWIUKK-UWQHEJLZSA-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 | 8wJaXDQss7p |
|---|---|
| Name | PETUNIDIN-3-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| 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-/m0/s1 |
| InChIKey | CCQDWIRWKWIUKK-UWQHEJLZSA-O |
| Literature Reference Author | T.MAS,J.SUSPERREGUI,B.BERKE,C.CHEZE,S.MOREAU,A.NUHRICH,J.VER CAUTEREN |
| Literature Reference Citation | PHYTOCHEM.,53,679(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00619-6 |
| Molecular Weight | 479.417 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU2098 |