| SpectraBase Compound ID | 79SxkjNPSym |
|---|---|
| InChI | InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25-,26-,28-,29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,39-,40-,41+,42-/m0/s1 |
| InChIKey | GZVMBXDQUQRICT-WBMSEIPPSA-N |
| Mol Weight | 859.0 g/mol |
| Molecular Formula | C42H66O18 |
| Exact Mass | 858.424915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TIXuFIWKQb |
|---|---|
| Name | DIGITOXIGENIN-BETA-D-GENTIOBIOSYL-(1->4)-ALPHA-L-THEVETOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O18 |
| InChI | InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25-,26-,28-,29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,39-,40-,41+,42-/m0/s1 |
| InChIKey | GZVMBXDQUQRICT-WBMSEIPPSA-N |
| Literature Reference Author | T.YAMAUCHI,F.ABE,A.S.C.WAN |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,4813(1987) |
| Literature Reference DOI | 10.1248/cpb.35.4813 |
| Molecular Weight | 858.975 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1157 |