| SpectraBase Compound ID | Jr9zd1EMnn6 |
|---|---|
| InChI | InChI=1S/C35H54O12/c1-16-28(39)29(40)30(41)32(45-16)47-31-17(2)44-27(14-24(31)36)46-20-7-9-33(3)19(12-20)5-6-22-23(33)13-25(37)34(4)21(8-10-35(22,34)42)18-11-26(38)43-15-18/h11,16-17,19-25,27-32,36-37,39-42H,5-10,12-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23-,24+,25+,27+,28-,29+,30-,31-,32+,33-,34-,35-/m0/s1 |
| InChIKey | FSKRCOPPXZHDSV-UFMYWELHSA-N |
| Mol Weight | 666.8 g/mol |
| Molecular Formula | C35H54O12 |
| Exact Mass | 666.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LueBwpZqbiI |
|---|---|
| Name | DIGOXIGENIN-3-O-BETA-D-DIGITOXOSIDO-BETA-D-GLUCOMETHYLOSID,(3-BETA-R,5-BETA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O12 |
| InChI | InChI=1S/C35H54O12/c1-16-28(39)29(40)30(41)32(45-16)47-31-17(2)44-27(14-24(31)36)46-20-7-9-33(3)19(12-20)5-6-22-23(33)13-25(37)34(4)21(8-10-35(22,34)42)18-11-26(38)43-15-18/h11,16-17,19-25,27-32,36-37,39-42H,5-10,12-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23-,24+,25+,27+,28-,29+,30-,31-,32+,33-,34-,35-/m0/s1 |
| InChIKey | FSKRCOPPXZHDSV-UFMYWELHSA-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 | 666.807 g/mol |
| Solvent | CD3OD |
| Source File Reference | UNIW8416 |