| SpectraBase Compound ID | EESbUW2wwTY |
|---|---|
| InChI | InChI=1S/C35H54O11/c1-17-31(40)25(36)14-30(43-17)46-32-18(2)44-29(15-26(32)37)45-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(38)34(4)22(8-10-35(23,34)41)19-11-28(39)42-16-19/h11,17-18,20-27,29-32,36-38,40-41H,5-10,12-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26-,27-,29-,30+,31-,32+,33+,34+,35+/m1/s1 |
| InChIKey | NTSBMKIZRSBFTA-MECCWFSQSA-N |
| Mol Weight | 650.8 g/mol |
| Molecular Formula | C35H54O11 |
| Exact Mass | 650.366613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8v4QgFxBFNX |
|---|---|
| Name | DIGOXIGENIN-3-O-BETA-D-DIGITOXOSIDO-BETA-D-2,6-DIDESOXYGLUCOSID,(3-BETA-R,5-BETA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O11 |
| InChI | InChI=1S/C35H54O11/c1-17-31(40)25(36)14-30(43-17)46-32-18(2)44-29(15-26(32)37)45-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(38)34(4)22(8-10-35(23,34)41)19-11-28(39)42-16-19/h11,17-18,20-27,29-32,36-38,40-41H,5-10,12-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26-,27-,29-,30+,31-,32+,33+,34+,35+/m1/s1 |
| InChIKey | NTSBMKIZRSBFTA-MECCWFSQSA-N |
| Literature Reference Author | D.KRUEGER,M.WICHTL |
| Literature Reference Citation | PLANTA.MED.,50,168(1984) |
| Literature Reference DOI | 10.1055/s-2007-969662 |
| Molecular Weight | 650.807 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UNIW8415 |