| SpectraBase Compound ID | Do0on0ym180 |
|---|---|
| InChI | InChI=1S/C44H42O17/c1-18-36(52)37(53)38(54)44(57-18)61-42-35(33-28(50)14-24(47)15-31(33)58-40(42)20-5-10-23(46)11-6-20)34-29(51)17-27(49)25-16-32(39(60-41(25)34)19-3-8-22(45)9-4-19)59-43(55)21-7-12-26(48)30(13-21)56-2/h3-15,17-18,32,35-40,42,44-54H,16H2,1-2H3/t18?,32-,35-,36?,37?,38?,39-,40+,42-,44?/m0/s1 |
| InChIKey | VGPUQZJVTUJREV-HYZBKGKISA-N |
| Mol Weight | 842.8 g/mol |
| Molecular Formula | C44H42O17 |
| Exact Mass | 842.2422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JlLEkvzsaOu |
|---|---|
| Name | PROANTHOCYANIDIN-I;3-O-(ALPHA-L-RHAMNOPYRANOSYL)-AFZELECHIN-(4-ALPHA->8)-EPIAFZELECHIN-3-O-VANILLATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H42O17 |
| InChI | InChI=1S/C44H42O17/c1-18-36(52)37(53)38(54)44(57-18)61-42-35(33-28(50)14-24(47)15-31(33)58-40(42)20-5-10-23(46)11-6-20)34-29(51)17-27(49)25-16-32(39(60-41(25)34)19-3-8-22(45)9-4-19)59-43(55)21-7-12-26(48)30(13-21)56-2/h3-15,17-18,32,35-40,42,44-54H,16H2,1-2H3/t18?,32-,35-,36?,37?,38?,39-,40+,42-,44?/m0/s1 |
| InChIKey | VGPUQZJVTUJREV-HYZBKGKISA-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 | 842.807 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP1252 |