| SpectraBase Compound ID | 6BpIjZWFiy |
|---|---|
| InChI | InChI=1S/C51H52O23/c52-18-34-40(63)42(65)44(67)50(70-34)74-48-39(37-30(60)14-23(54)15-32(37)68-46(48)22-8-10-26(56)29(59)13-22)38-31(61)17-27(57)24-16-33(45(73-47(24)38)21-7-9-25(55)28(58)12-21)69-51-49(43(66)41(64)35(19-53)71-51)72-36(62)11-6-20-4-2-1-3-5-20/h1-15,17,33-35,39-46,48-61,63-67H,16,18-19H2/b11-6+/t33-,34-,35+,39+,40-,41+,42+,43-,44-,45+,46+,48-,49+,50+,51+/m0/s1 |
| InChIKey | AEOWOANMUIQUTM-RSHMWCFMSA-N |
| Mol Weight | 1033.0 g/mol |
| Molecular Formula | C51H52O23 |
| Exact Mass | 1032.289938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 113WGlUhojh |
|---|---|
| Name | CATECHIN-3-O-BETA-D-GLUCOPYRANO-(4-ALPHA->8)-CATECHIN-3-O-BETA-D-GLUCO-(2-CINNAMOYL)-PYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H52O23 |
| InChI | InChI=1S/C51H52O23/c52-18-34-40(63)42(65)44(67)50(70-34)74-48-39(37-30(60)14-23(54)15-32(37)68-46(48)22-8-10-26(56)29(59)13-22)38-31(61)17-27(57)24-16-33(45(73-47(24)38)21-7-9-25(55)28(58)12-21)69-51-49(43(66)41(64)35(19-53)71-51)72-36(62)11-6-20-4-2-1-3-5-20/h1-15,17,33-35,39-46,48-61,63-67H,16,18-19H2/b11-6+/t33-,34-,35+,39+,40-,41+,42+,43-,44-,45+,46+,48-,49+,50+,51+/m0/s1 |
| InChIKey | AEOWOANMUIQUTM-RSHMWCFMSA-N |
| Literature Reference Author | J.LOKVAM,P.D.COLEY,T.A.KURSAR |
| Literature Reference Citation | PHYTOCHEM.,65,351(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2003.11.012 |
| Molecular Weight | 1032.960 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN31385 |