| SpectraBase Compound ID | HgxLVINZ6vM |
|---|---|
| InChI | InChI=1S/C44H42O18/c1-17-36(53)37(54)38(55)44(58-17)62-42-35(33-28(51)13-22(46)14-31(33)59-40(42)18-3-7-21(45)8-4-18)34-29(52)16-26(49)23-15-32(60-43(56)20-6-10-25(48)30(12-20)57-2)39(61-41(23)34)19-5-9-24(47)27(50)11-19/h3-14,16-17,32,35-40,42,44-55H,15H2,1-2H3/t17?,32-,35-,36?,37?,38?,39-,40+,42-,44?/m0/s1 |
| InChIKey | WOHNSGMEHDFINH-RSMKPMJESA-N |
| Mol Weight | 858.8 g/mol |
| Molecular Formula | C44H42O18 |
| Exact Mass | 858.237114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsbKTRJZdar |
|---|---|
| Name | PROANTHOCYANIDIN-II;3-O-(ALPHA-L-RHAMNOPYRANOSYL)-AFZELECHIN-(4-ALPHA->8)-EPICATECHIN-3-O-VANILLATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H42O18 |
| InChI | InChI=1S/C44H42O18/c1-17-36(53)37(54)38(55)44(58-17)62-42-35(33-28(51)13-22(46)14-31(33)59-40(42)18-3-7-21(45)8-4-18)34-29(52)16-26(49)23-15-32(60-43(56)20-6-10-25(48)30(12-20)57-2)39(61-41(23)34)19-5-9-24(47)27(50)11-19/h3-14,16-17,32,35-40,42,44-55H,15H2,1-2H3/t17?,32-,35-,36?,37?,38?,39-,40+,42-,44?/m0/s1 |
| InChIKey | WOHNSGMEHDFINH-RSMKPMJESA-N |
| Literature Reference Author | H.ACHENBACH,G.BENIRSCHKE |
| Literature Reference Citation | PHYTOCHEM.,45,149(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00777-7 |
| Molecular Weight | 858.807 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP1253 |