| SpectraBase Compound ID | 5FDqsex09c4 |
|---|---|
| InChI | InChI=1S/C75H68O33/c1-30(76)91-48-25-57(99-38(9)84)63-58(26-48)106-70(46-17-20-51(93-32(3)78)55(23-46)97-36(7)82)74(104-43(14)89)67(63)65-60(101-40(11)86)29-61(102-41(12)87)66-68(75(105-44(15)90)71(108-73(65)66)47-18-21-52(94-33(4)79)56(24-47)98-37(8)83)64-59(100-39(10)85)28-53(95-34(5)80)49-27-62(103-42(13)88)69(107-72(49)64)45-16-19-50(92-31(2)77)54(22-45)96-35(6)81/h16-26,28-29,62,67-71,74-75H,27H2,1-15H3/t62-,67+,68+,69+,70-,71+,74+,75-/m1/s1 |
| InChIKey | KRPGVSJJSXPITF-MEWHMCMISA-N |
| Mol Weight | 1497.3 g/mol |
| Molecular Formula | C75H68O33 |
| Exact Mass | 1496.364285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KnQpXI8W7MH |
|---|---|
| Name | PROCYANIDIN-TRIMER-1;CATECHIN-(4-ALPHA-8)-CATECHIN-(4-ALPHA-8)-CATECHIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H68O33 |
| InChI | InChI=1S/C75H68O33/c1-30(76)91-48-25-57(99-38(9)84)63-58(26-48)106-70(46-17-20-51(93-32(3)78)55(23-46)97-36(7)82)74(104-43(14)89)67(63)65-60(101-40(11)86)29-61(102-41(12)87)66-68(75(105-44(15)90)71(108-73(65)66)47-18-21-52(94-33(4)79)56(24-47)98-37(8)83)64-59(100-39(10)85)28-53(95-34(5)80)49-27-62(103-42(13)88)69(107-72(49)64)45-16-19-50(92-31(2)77)54(22-45)96-35(6)81/h16-26,28-29,62,67-71,74-75H,27H2,1-15H3/t62-,67+,68+,69+,70-,71+,74+,75-/m1/s1 |
| InChIKey | KRPGVSJJSXPITF-MEWHMCMISA-N |
| Literature Reference Author | L.BALAS,J.VERCAUTEREN,M.LAGUERRE |
| Literature Reference Citation | MAGN.RES.CHEM.,33,85(1995) |
| Literature Reference DOI | 10.1002/mrc.1260330202 |
| Molecular Weight | 1497.345 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP7069 |