| SpectraBase Compound ID | 9n2PmLfrmg8 |
|---|---|
| InChI | InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1 |
| InChIKey | MOJZMWJRUKIQGL-XILRTYJMSA-N |
| Mol Weight | 866.8 g/mol |
| Molecular Formula | C45H38O18 |
| Exact Mass | 866.205814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3srGQ7Spt60 |
|---|---|
| Name | PROCYANIDIN-C1;EPICATECHIN-(4-BETA->8)-EPICATECHIN-(4-BETA->8)-EPICATECHIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H38O18 |
| InChI | InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1 |
| InChIKey | MOJZMWJRUKIQGL-XILRTYJMSA-N |
| Literature Reference Author | S.WIESNETH,F.PETEREIT,G.JUERGENLIEMK |
| Literature Reference Citation | MOLECULES,20,13764(2015) |
| Literature Reference DOI | 10.3390/molecules200813764 |
| Molecular Weight | 866.786 g/mol |
| Solvent | CD3OD:D2O=7:3 |
| Source File Reference | UWPA4114 |