| SpectraBase Compound ID | FRKZMvN6mqy |
|---|---|
| InChI | InChI=1S/C27H28N2O16/c30-16-7-14-11(5-15(26(41)42)29(14)2-1-10-3-12(24(37)38)28-13(4-10)25(39)40)6-17(16)44-27-23(36)22(35)21(34)18(45-27)9-43-20(33)8-19(31)32/h1-3,6-7,13,15,18,21-23,27,34-36H,4-5,8-9H2,(H5,30,31,32,37,38,39,40,41,42)/p+1/t13-,15+,18-,21-,22+,23-,27-/m1/s1 |
| InChIKey | BDLRBECIDGNTEK-QJNFOXCDSA-O |
| Mol Weight | 637.53 g/mol |
| Molecular Formula | C27H29N2O16 |
| Exact Mass | 637.151708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rshaG1goLl |
|---|---|
| Name | PHYLLOCACTIN;6'-O-MALONYL-BETANIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H29N2O16 |
| InChI | InChI=1S/C27H28N2O16/c30-16-7-14-11(5-15(26(41)42)29(14)2-1-10-3-12(24(37)38)28-13(4-10)25(39)40)6-17(16)44-27-23(36)22(35)21(34)18(45-27)9-43-20(33)8-19(31)32/h1-3,6-7,13,15,18,21-23,27,34-36H,4-5,8-9H2,(H5,30,31,32,37,38,39,40,41,42)/p+1/t13-,15+,18-,21-,22+,23-,27-/m1/s1 |
| InChIKey | BDLRBECIDGNTEK-QJNFOXCDSA-O |
| Literature Reference Author | F.C.STINTZING,J.CONRAD,I.KLAIBER,U.BEIFUSS,R.CARLE |
| Literature Reference Citation | PHYTOCHEM.,65,415(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2003.10.029 |
| Molecular Weight | 637.531 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU34591 |