| SpectraBase Compound ID | ALU40ggM2k |
|---|---|
| InChI | InChI=1S/C32H28O14.Na/c33-13-7-19(38)25-22(8-13)45-31(12-2-4-16(35)18(37)6-12)29(44)27(25)26-21(40)10-20(39)24-14(9-23(41)42)28(43)30(46-32(24)26)11-1-3-15(34)17(36)5-11;/h1-8,10,14,27-31,33-40,43-44H,9H2,(H,41,42);/q;+1/p-1/t14-,27+,28-,29+,30+,31+;/m0./s1 |
| InChIKey | XYAYKBMGKNZBIJ-ZETMLBOHSA-M |
| Mol Weight | 658.5 g/mol |
| Molecular Formula | C32H27NaO14 |
| Exact Mass | 658.12985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4eAnYewms4e |
|---|---|
| Name | EPICATECHIN-(4-BETA->8)-4-BETA-CARBOXYMETHYLEPICATECHIN_SODIUM_SALT |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H27NaO14 |
| InChI | InChI=1S/C32H28O14.Na/c33-13-7-19(38)25-22(8-13)45-31(12-2-4-16(35)18(37)6-12)29(44)27(25)26-21(40)10-20(39)24-14(9-23(41)42)28(43)30(46-32(24)26)11-1-3-15(34)17(36)5-11;/h1-8,10,14,27-31,33-40,43-44H,9H2,(H,41,42);/q;+1/p-1/t14-,27+,28-,29+,30+,31+;/m0./s1 |
| InChIKey | XYAYKBMGKNZBIJ-ZETMLBOHSA-M |
| Literature Reference Author | T.H.HWANG,Y.KASHIWADA,G.I.NONAKA,I.NISHIOKA |
| Literature Reference Citation | PHYTOCHEM.,29,279(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89050-J |
| Molecular Weight | 658.548 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWMZ25633 |