| SpectraBase Compound ID | CvDrWvypqR8 |
|---|---|
| InChI | InChI=1S/C51H46O23/c52-15-34-41(65)43(67)44(68)50(69-34)72-49-40-35-28(61)10-19(53)11-32(35)73-51(49,18-3-6-23(56)27(60)9-18)74-33-14-30(63)37-39(42(66)46(71-48(37)38(33)40)17-2-5-22(55)26(59)8-17)36-29(62)13-24(57)20-12-31(64)45(70-47(20)36)16-1-4-21(54)25(58)7-16/h1-11,13-14,31,34,39-46,49-50,52-68H,12,15H2/t31-,34+,39-,40+,41-,42+,43-,44+,45-,46+,49-,50-,51+/m1/s1 |
| InChIKey | XIFRPUIQXADIQI-WHKRKAGPSA-N |
| Mol Weight | 1026.9 g/mol |
| Molecular Formula | C51H46O23 |
| Exact Mass | 1026.242988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZ4cy3foUJY |
|---|---|
| Name | 3T-O-BETA-D-GALACTOPYRANOSYLCINNAMTANNIN-B1 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H46O23 |
| InChI | InChI=1S/C51H46O23/c52-15-34-41(65)43(67)44(68)50(69-34)72-49-40-35-28(61)10-19(53)11-32(35)73-51(49,18-3-6-23(56)27(60)9-18)74-33-14-30(63)37-39(42(66)46(71-48(37)38(33)40)17-2-5-22(55)26(59)8-17)36-29(62)13-24(57)20-12-31(64)45(70-47(20)36)16-1-4-21(54)25(58)7-16/h1-11,13-14,31,34,39-46,49-50,52-68H,12,15H2/t31-,34+,39-,40+,41-,42+,43-,44+,45-,46+,49-,50-,51+/m1/s1 |
| InChIKey | XIFRPUIQXADIQI-WHKRKAGPSA-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 | 1026.912 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWVN2800 |