| SpectraBase Compound ID | KajE5GBaxUZ |
|---|---|
| InChI | InChI=1S/C41H64O15/c1-18-33(46)34(47)35(48)38(53-18)56-37-20(3)52-32(16-28(37)43)55-36-19(2)51-31(15-27(36)42)54-23-8-10-39(4)22(13-23)6-7-25-26(39)14-29(44)40(5)24(9-11-41(25,40)49)21-12-30(45)50-17-21/h12,18-20,22-29,31-38,42-44,46-49H,6-11,13-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,31-,32+,33-,34+,35-,36+,37-,38+,39+,40+,41+/m1/s1 |
| InChIKey | OIUXSDQOOOZJRO-PBSHQLFPSA-N |
| Mol Weight | 796.9 g/mol |
| Molecular Formula | C41H64O15 |
| Exact Mass | 796.424521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B9AXxWUZKyu |
|---|---|
| Name | DIGOXIGENIN-3-O-BETA-D-DIGITOXOSIDO-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 | C41H64O15 |
| InChI | InChI=1S/C41H64O15/c1-18-33(46)34(47)35(48)38(53-18)56-37-20(3)52-32(16-28(37)43)55-36-19(2)51-31(15-27(36)42)54-23-8-10-39(4)22(13-23)6-7-25-26(39)14-29(44)40(5)24(9-11-41(25,40)49)21-12-30(45)50-17-21/h12,18-20,22-29,31-38,42-44,46-49H,6-11,13-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,31-,32+,33-,34+,35-,36+,37-,38+,39+,40+,41+/m1/s1 |
| InChIKey | OIUXSDQOOOZJRO-PBSHQLFPSA-N |
| Literature Reference Author | D.KRUEGER,P.JUNIOR,M.WICHTL |
| Literature Reference Citation | PLANTA.MED.,49,74(1983) |
| Literature Reference DOI | 10.1055/s-2007-969819 |
| Molecular Weight | 796.950 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UNIW8406 |