| SpectraBase Compound ID | 1EFLPpyH3xO |
|---|---|
| InChI | InChI=1S/C40H62O15/c1-18-35(54-32-15-27(42)36(19(2)52-32)55-37-34(47)33(46)28(43)17-50-37)26(41)14-31(51-18)53-22-7-9-38(3)21(12-22)5-6-24-25(38)13-29(44)39(4)23(8-10-40(24,39)48)20-11-30(45)49-16-20/h11,18-19,21-29,31-37,41-44,46-48H,5-10,12-17H2,1-4H3/t18-,19-,21+,22-,23+,24+,25-,26+,27+,28+,29+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40-/m0/s1 |
| InChIKey | XUBVNIHCOLTBHN-IUCDNGFJSA-N |
| Mol Weight | 782.9 g/mol |
| Molecular Formula | C40H62O15 |
| Exact Mass | 782.408871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELVtnhnhG3P |
|---|---|
| Name | DIGOXIGENIN-3-O-BETA-D-DIGITOXOSIDO-BETA-D-DIGITOXOSIDO-BETA-D-XYLOSID,(3-BETA-R,5-BETA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62O15 |
| InChI | InChI=1S/C40H62O15/c1-18-35(54-32-15-27(42)36(19(2)52-32)55-37-34(47)33(46)28(43)17-50-37)26(41)14-31(51-18)53-22-7-9-38(3)21(12-22)5-6-24-25(38)13-29(44)39(4)23(8-10-40(24,39)48)20-11-30(45)49-16-20/h11,18-19,21-29,31-37,41-44,46-48H,5-10,12-17H2,1-4H3/t18-,19-,21+,22-,23+,24+,25-,26+,27+,28+,29+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40-/m0/s1 |
| InChIKey | XUBVNIHCOLTBHN-IUCDNGFJSA-N |
| Literature Reference Author | D.KRUEGER,M.WICHTL |
| Literature Reference Citation | PLANTA.MED.,50,267(1984) |
| Literature Reference DOI | 10.1055/s-2007-969697 |
| Molecular Weight | 782.923 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UNIW8419 |