| SpectraBase Compound ID | XUy3QYLGtM |
|---|---|
| InChI | InChI=1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17-,18-,19?,20?,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1 |
| InChIKey | CMHWMOGWFZWDMR-PUWGRIADSA-N |
| Mol Weight | 536.7 g/mol |
| Molecular Formula | C29H44O9 |
| Exact Mass | 536.298533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7eUatUJoUBb |
|---|---|
| Name | 3-EPIDIGITOXIGENIN-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O9 |
| InChI | InChI=1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17-,18-,19?,20?,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1 |
| InChIKey | CMHWMOGWFZWDMR-PUWGRIADSA-N |
| Literature Reference Author | K.KAWAGUCHI,M.HIROTANI,T.YOSHIKAWA,T.FURUYA |
| Literature Reference Citation | PHYTOCHEM.,29,837(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80029-G |
| Molecular Weight | 536.663 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN29430 |