| SpectraBase Compound ID | GcJi3Kvh3vu |
|---|---|
| InChI | InChI=1S/C44H52O24/c1-21(47)58-18-30-34(55)36(57)38(60-23(3)49)42(62-30)66-39-37(64-32(53)15-9-25-5-11-27(51)12-6-25)31(19-59-22(2)48)63-43(40(39)61-24(4)50)68-44(20-46)41(35(56)29(17-45)67-44)65-33(54)16-10-26-7-13-28(52)14-8-26/h5-16,29-31,34-43,45-46,51-52,55-57H,17-20H2,1-4H3/b15-9+,16-10+/t29-,30+,31+,34+,35-,36-,37+,38+,39-,40+,41+,42-,43+,44+/m1/s1 |
| InChIKey | VVVLGUUGHUPSTP-JXRFVXECSA-N |
| Mol Weight | 964.9 g/mol |
| Molecular Formula | C44H52O24 |
| Exact Mass | 964.284853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7mafKiiPRA |
|---|---|
| Name | #3B;3-O-(E)-PARA-COUMAROYL-BETA-D-FRUCTOFURANOSYL-(2->1')-[2'',6''-DI-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1''->3')-(2',6'-DI-O-ACETYL-4'-O-(E)-PARA-COUMAROY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H52O24 |
| InChI | InChI=1S/C44H52O24/c1-21(47)58-18-30-34(55)36(57)38(60-23(3)49)42(62-30)66-39-37(64-32(53)15-9-25-5-11-27(51)12-6-25)31(19-59-22(2)48)63-43(40(39)61-24(4)50)68-44(20-46)41(35(56)29(17-45)67-44)65-33(54)16-10-26-7-13-28(52)14-8-26/h5-16,29-31,34-43,45-46,51-52,55-57H,17-20H2,1-4H3/b15-9+,16-10+/t29-,30+,31+,34+,35-,36-,37+,38+,39-,40+,41+,42-,43+,44+/m1/s1 |
| InChIKey | VVVLGUUGHUPSTP-JXRFVXECSA-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 | 964.882 g/mol |
| Sample ID | 2663 |
| Solvent | CD3OD |