| SpectraBase Compound ID | 3NawmArVTmG |
|---|---|
| InChI | InChI=1S/C46H54O25/c1-22(49)60-19-32-38(62-24(3)51)37(59)40(63-25(4)52)44(65-32)69-41-39(67-34(56)16-10-27-6-12-29(54)13-7-27)33(20-61-23(2)50)66-45(42(41)64-26(5)53)71-46(21-48)43(36(58)31(18-47)70-46)68-35(57)17-11-28-8-14-30(55)15-9-28/h6-17,31-33,36-45,47-48,54-55,58-59H,18-21H2,1-5H3/b16-10+,17-11+/t31-,32+,33+,36-,37-,38+,39+,40+,41-,42+,43+,44-,45+,46+/m1/s1 |
| InChIKey | DDRONONPYZNVIC-NZBPFASISA-N |
| Mol Weight | 1006.9 g/mol |
| Molecular Formula | C46H54O25 |
| Exact Mass | 1006.295417 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9GRm6C1pe32 |
|---|---|
| Name | #3A;3-O-(E)-PARA-COUMAROYL-BETA-D-FRUCTOFURANOSYL-(2->1')-[2'',4'',6''-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1''->3')-(2',6'-DI-O-ACETYL-4'-O-(E)-PARA-COU |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H54O25 |
| InChI | InChI=1S/C46H54O25/c1-22(49)60-19-32-38(62-24(3)51)37(59)40(63-25(4)52)44(65-32)69-41-39(67-34(56)16-10-27-6-12-29(54)13-7-27)33(20-61-23(2)50)66-45(42(41)64-26(5)53)71-46(21-48)43(36(58)31(18-47)70-46)68-35(57)17-11-28-8-14-30(55)15-9-28/h6-17,31-33,36-45,47-48,54-55,58-59H,18-21H2,1-5H3/b16-10+,17-11+/t31-,32+,33+,36-,37-,38+,39+,40+,41-,42+,43+,44-,45+,46+/m1/s1 |
| InChIKey | DDRONONPYZNVIC-NZBPFASISA-N |
| Literature Reference Author | R.FANG,N.C.VEITCH,G.C.KITE,M.J.R.HOWES,E.A.PORTER,M.S.J.SIMM ONDS |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,124(2011) |
| Literature Reference DOI | 10.1248/cpb.59.124 |
| Molecular Weight | 1006.920 g/mol |
| Sample ID | 2662 |
| Solvent | CD3OD |