| SpectraBase Compound ID | 5VSOrfbiYsw |
|---|---|
| InChI | InChI=1S/C50H44O22/c51-19-10-28(59)35-33(11-19)71-50(18-3-6-23(54)27(58)9-18)48(70-49-43(66)41(64)32(63)15-67-49)40(35)38-34(72-50)14-30(61)37-39(42(65)45(69-47(37)38)17-2-5-22(53)26(57)8-17)36-29(60)13-24(55)20-12-31(62)44(68-46(20)36)16-1-4-21(52)25(56)7-16/h1-11,13-14,31-32,39-45,48-49,51-66H,12,15H2/t31-,32-,39-,40+,41-,42+,43+,44-,45+,48+,49-,50-/m1/s1 |
| InChIKey | QWIMQWJUSBZQGZ-IBGMREQYSA-N |
| Mol Weight | 996.9 g/mol |
| Molecular Formula | C50H44O22 |
| Exact Mass | 996.232423 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZ2SM9xuOO1 |
|---|---|
| Name | 3T-O-ALPHA-L-ARABINOPYRANOSYLCINNAMTANNIN-B1 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H44O22 |
| InChI | InChI=1S/C50H44O22/c51-19-10-28(59)35-33(11-19)71-50(18-3-6-23(54)27(58)9-18)48(70-49-43(66)41(64)32(63)15-67-49)40(35)38-34(72-50)14-30(61)37-39(42(65)45(69-47(37)38)17-2-5-22(53)26(57)8-17)36-29(60)13-24(55)20-12-31(62)44(68-46(20)36)16-1-4-21(52)25(56)7-16/h1-11,13-14,31-32,39-45,48-49,51-66H,12,15H2/t31-,32-,39-,40+,41-,42+,43+,44-,45+,48+,49-,50-/m1/s1 |
| InChIKey | QWIMQWJUSBZQGZ-IBGMREQYSA-N |
| Literature Reference Author | T.HATANO,H.MIYATAKE,M.NATSUME,N.OSAKABE,T.TAKIZAWA,H.ITO,T.Y OSHIDA |
| Literature Reference Citation | PHYTOCHEM.,59,749(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00051-1 |
| Molecular Weight | 996.886 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWVN2799 |