| SpectraBase Compound ID | 9IszqAtqmXh |
|---|---|
| InChI | InChI=1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15-,17-,18+,19-,20+,21-,23-,24+,25-,26+,27+,28-,29+/m1/s1 |
| InChIKey | WQMLFJWIKARBFW-QYLLKCSRSA-N |
| Mol Weight | 520.7 g/mol |
| Molecular Formula | C29H44O8 |
| Exact Mass | 520.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJ4VV5IEMBi |
|---|---|
| Name | DIGITOXIGENIN-3-O-BETA-D-GLUCOMETHYLOSID,(3-BETA-R,5-BETA-H) |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O8 |
| InChI | InChI=1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15-,17-,18+,19-,20+,21-,23-,24+,25-,26+,27+,28-,29+/m1/s1 |
| InChIKey | WQMLFJWIKARBFW-QYLLKCSRSA-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 | 520.664 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UNIW8407 |