| SpectraBase Compound ID | G1T6H1Def2E |
|---|---|
| InChI | InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-21(28)13-22(31)29(3)19(8-10-30(20,29)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17-,18+,19-,20-,21+,22-,24+,25-,26+,27+,28+,29+,30+/m1/s1 |
| InChIKey | BDASUTDOLIDDRU-CPMWVHQYSA-N |
| Mol Weight | 550.7 g/mol |
| Molecular Formula | C30H46O9 |
| Exact Mass | 550.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7YBgOTJm3Rk |
|---|---|
| Name | DIGOXIGENIN-3-O-BETA-D-DIGITALOSID,(3-BETA-R,5-BETA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O9 |
| InChI | InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-21(28)13-22(31)29(3)19(8-10-30(20,29)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17-,18+,19-,20-,21+,22-,24+,25-,26+,27+,28+,29+,30+/m1/s1 |
| InChIKey | BDASUTDOLIDDRU-CPMWVHQYSA-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 | 550.690 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UNIW8414 |