| SpectraBase Compound ID | 5d6qWaLWDPT |
|---|---|
| InChI | InChI=1S/C43H44O19/c1-24(45)56-23-43(62-42-40(38(54)39(57-25(2)46)32(21-44)58-42)59-35(51)19-10-27-5-14-30(48)15-6-27)41(60-36(52)20-11-28-7-16-31(49)17-8-28)37(53)33(61-43)22-55-34(50)18-9-26-3-12-29(47)13-4-26/h3-20,32-33,37-42,44,47-49,53-54H,21-23H2,1-2H3/b18-9+,19-10+,20-11+/t32-,33-,37-,38+,39-,40-,41+,42-,43+/m0/s1 |
| InChIKey | AGITZPRBGCTZIK-WPZXFHIQSA-N |
| Mol Weight | 864.8 g/mol |
| Molecular Formula | C43H44O19 |
| Exact Mass | 864.247679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDsgpace4Ks |
|---|---|
| Name | BETA-D-(1-O-ACETYL-3,6-O-PARA-E-DICOUMAROYL)-FRUCTOFURANOSYL-ALPHA-D-(4'-O-ACETYL-2'-O-PARA-E-COUMAROYL)-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H44O19 |
| InChI | InChI=1S/C43H44O19/c1-24(45)56-23-43(62-42-40(38(54)39(57-25(2)46)32(21-44)58-42)59-35(51)19-10-27-5-14-30(48)15-6-27)41(60-36(52)20-11-28-7-16-31(49)17-8-28)37(53)33(61-43)22-55-34(50)18-9-26-3-12-29(47)13-4-26/h3-20,32-33,37-42,44,47-49,53-54H,21-23H2,1-2H3/b18-9+,19-10+,20-11+/t32-,33-,37-,38+,39-,40-,41+,42-,43+/m0/s1 |
| InChIKey | AGITZPRBGCTZIK-WPZXFHIQSA-N |
| Literature Reference Author | P.WANG,S.LI,S.OWNBY,Z.ZHANG,W.YUAN,W.ZHANG,R.S.BEASLEY |
| Literature Reference Citation | PHYTOCHEM.,70,430(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.01.017 |
| Molecular Weight | 864.811 g/mol |
| Sample ID | 64573 |
| Solvent | DMSO-D6 |