| SpectraBase Compound ID | FP0MeTVE5tO |
|---|---|
| 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-YGVAXWAISA-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 | 61UfYG7uYdz |
|---|---|
| Name | DIGOXIN,(3-BETA-O-TRI-BETA-D-DIGITOXOSID,5-BETA-H,12-BETA-OH) |
| CAS Registry Number | 20830-75-5 |
| 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-YGVAXWAISA-N |
| Literature Reference Author | L.BROWN,H.T.A.CHEUNG,R.THOMAS,T.R.WATSON,J.L.E.NEMORIN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1779(1981) |
| Literature Reference DOI | 10.1039/p19810001779 |
| Molecular Weight | 780.951 g/mol |
| Solvent | CDCl3:DMSO |
| Source File Reference | UNIW8518 |