| SpectraBase Compound ID | DwoyJQ33PKx |
|---|---|
| InChI | InChI=1S/C45H72O19/c1-19-7-12-44(57-18-19)20(2)45(56)29(64-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,45)4)58-39-36(55)34(53)37(28(17-48)61-39)62-41-38(33(52)31(50)27(16-47)60-41)63-40-35(54)32(51)30(49)26(15-46)59-40/h5,19-20,22-41,46-56H,6-18H2,1-4H3/t19-,20-,22+,23-,24+,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,39-,40-,41-,42+,43+,44-,45-/m1/s1 |
| InChIKey | MHHONOXDXCNPRH-JTUQYMBCSA-N |
| Mol Weight | 917.1 g/mol |
| Molecular Formula | C45H72O19 |
| Exact Mass | 916.46678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4YZrv9GNyi1 |
|---|---|
| Name | PRATIOSIDE-A;PENNOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O19 |
| InChI | InChI=1S/C45H72O19/c1-19-7-12-44(57-18-19)20(2)45(56)29(64-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,45)4)58-39-36(55)34(53)37(28(17-48)61-39)62-41-38(33(52)31(50)27(16-47)60-41)63-40-35(54)32(51)30(49)26(15-46)59-40/h5,19-20,22-41,46-56H,6-18H2,1-4H3/t19-,20-,22+,23-,24+,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,39-,40-,41-,42+,43+,44-,45-/m1/s1 |
| InChIKey | MHHONOXDXCNPRH-JTUQYMBCSA-N |
| Literature Reference Author | X.C.LI,C.R.YANG,H.MATSUURA,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,33,465(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85541-X |
| Molecular Weight | 917.055 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6433 |