| SpectraBase Compound ID | 1NRiWpd5pQe |
|---|---|
| InChI | InChI=1S/C42H66O18/c1-18-34(59-38-32(50)30(48)35(26(16-44)58-38)60-37-31(49)29(47)28(46)25(15-43)57-37)36(53-4)33(51)39(55-18)56-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(45)54-17-19/h13,18,20-26,28-39,43-44,46-52H,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 | OWXNLPWXQUXDMB-GBMFQGBSSA-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 | 11c2mm8cTFO |
|---|---|
| Name | 17-ALPHA-DIGITOXIGENIN-BETA-CELLOBIOSYL-(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/c1-18-34(59-38-32(50)30(48)35(26(16-44)58-38)60-37-31(49)29(47)28(46)25(15-43)57-37)36(53-4)33(51)39(55-18)56-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(45)54-17-19/h13,18,20-26,28-39,43-44,46-52H,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 | OWXNLPWXQUXDMB-GBMFQGBSSA-N |
| Literature Reference Author | T.YAMAUCHI,F.ABE,A.S.C.WAN |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,4993(1987) |
| Literature Reference DOI | 10.1248/cpb.35.4993 |
| Molecular Weight | 858.975 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1027 |