| SpectraBase Compound ID | bPmEdyVS04 |
|---|---|
| InChI | InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1 |
| InChIKey | XFZJEEAOWLFHDH-VUGKQVTMSA-N |
| Mol Weight | 578.53 g/mol |
| Molecular Formula | C30H26O12 |
| Exact Mass | 578.142426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8aSbOwiIBhb |
|---|---|
| Name | CATECHIN-(4-ALPHA->8)-EPICATECHIN;COMPACT-CONFORMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H26O12 |
| InChI | InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1 |
| InChIKey | XFZJEEAOWLFHDH-VUGKQVTMSA-N |
| Literature Reference Author | T.HATANO,R.W.HEMINGWAY |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,1035(1997) |
| Literature Reference DOI | 10.1039/a605592c |
| Molecular Weight | 578.529 g/mol |
| Solvent | Unknown |
| Source File Reference | UWRU6386 |