| SpectraBase Compound ID | 5tspKaxOwLg |
|---|---|
| InChI | InChI=1S/C36H54O12/c1-18-32(48-33-31(41)30(40)29(39)26(16-37)47-33)25(43-4)15-28(45-18)46-21-7-10-34(2)20(14-21)5-6-24-23(34)8-11-35(3)22(9-12-36(24,35)42)19-13-27(38)44-17-19/h9,13,18,20-21,23-26,28-33,37,39-42H,5-8,10-12,14-17H2,1-4H3/t18-,20-,21+,23+,24-,25+,26+,28-,29+,30-,31+,32-,33-,34+,35-,36+/m1/s1 |
| InChIKey | LEFKCHDMZDXSRM-VYIURYAMSA-N |
| Mol Weight | 678.8 g/mol |
| Molecular Formula | C36H54O12 |
| Exact Mass | 678.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3ZVrn9Xaky |
|---|---|
| Name | DELTA-(16)-DIGITOXIGENIN-BETA-D-GLUCOPYRANOSYL-ALPHA-L-CYMAROPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O12 |
| InChI | InChI=1S/C36H54O12/c1-18-32(48-33-31(41)30(40)29(39)26(16-37)47-33)25(43-4)15-28(45-18)46-21-7-10-34(2)20(14-21)5-6-24-23(34)8-11-35(3)22(9-12-36(24,35)42)19-13-27(38)44-17-19/h9,13,18,20-21,23-26,28-33,37,39-42H,5-8,10-12,14-17H2,1-4H3/t18-,20-,21+,23+,24-,25+,26+,28-,29+,30-,31+,32-,33-,34+,35-,36+/m1/s1 |
| InChIKey | LEFKCHDMZDXSRM-VYIURYAMSA-N |
| Literature Reference Author | T.YAMAUCHI,F.ABE,T.SANTISUK |
| Literature Reference Citation | PHYTOCHEM.,29,1961(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85048-K |
| Molecular Weight | 678.818 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU32230 |