| SpectraBase Compound ID | jthB3nuNSp |
|---|---|
| InChI | InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20+,21+,23-,24+,25-,26-,27+,28-,29-,30-,31-,33-,34+,35-,36-,37+,38+,39+,40+,41+/m1/s1 |
| InChIKey | LTMHDMANZUZIPE-DPGMAULMSA-N |
| Mol Weight | 780.9 g/mol |
| Molecular Formula | C41H64O14 |
| Exact Mass | 780.429607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1EXRTiEoiDR |
|---|---|
| Name | DIGOXIGENIN-3-O-BETA-D-DIGITOXOSIDO-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 | C41H64O14 |
| InChI | InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20+,21+,23-,24+,25-,26-,27+,28-,29-,30-,31-,33-,34+,35-,36-,37+,38+,39+,40+,41+/m1/s1 |
| InChIKey | LTMHDMANZUZIPE-DPGMAULMSA-N |
| Literature Reference Author | D.KRUEGER,M.WICHTL |
| Literature Reference Citation | PLANTA.MED.,50,265(1984) |
| Literature Reference DOI | 10.1055/s-2007-969696 |
| Molecular Weight | 780.951 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UNIW8418 |