| SpectraBase Compound ID | 2eegig8DCO8 |
|---|---|
| InChI | InChI=1S/C51H82O24/c1-20-32-27(75-51(20)11-6-21(19-67-51)18-66-45-40(63)36(59)33(56)28(14-52)69-45)13-26-24-5-4-22-12-23(7-9-49(22,2)25(24)8-10-50(26,32)3)68-46-42(65)39(62)43(31(17-55)72-46)73-48-44(38(61)35(58)30(16-54)71-48)74-47-41(64)37(60)34(57)29(15-53)70-47/h4,20-21,23-48,52-65H,5-19H2,1-3H3/t20-,21-,23-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,42+,43-,44-,45-,46+,47+,48+,49-,50-,51+/m0/s1 |
| InChIKey | QJFLAVOZWVIWOX-WOKDXXFHSA-N |
| Mol Weight | 1079.2 g/mol |
| Molecular Formula | C51H82O24 |
| Exact Mass | 1078.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LxFDAa47nrh |
|---|---|
| Name | PRATIOSIDE-C;27-O-BETA-D-GLUCOPYRANOSYL-ISONARTHOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O24 |
| InChI | InChI=1S/C51H82O24/c1-20-32-27(75-51(20)11-6-21(19-67-51)18-66-45-40(63)36(59)33(56)28(14-52)69-45)13-26-24-5-4-22-12-23(7-9-49(22,2)25(24)8-10-50(26,32)3)68-46-42(65)39(62)43(31(17-55)72-46)73-48-44(38(61)35(58)30(16-54)71-48)74-47-41(64)37(60)34(57)29(15-53)70-47/h4,20-21,23-48,52-65H,5-19H2,1-3H3/t20-,21-,23-,24+,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,42+,43-,44-,45-,46+,47+,48+,49-,50-,51+/m0/s1 |
| InChIKey | QJFLAVOZWVIWOX-WOKDXXFHSA-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 | 1079.198 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6435 |