| SpectraBase Compound ID | IGSH1a6QDUm |
|---|---|
| InChI | InChI=1S/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-21,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19-,20+,21+,23+,24+,25+/m1/s1 |
| InChIKey | BRPTXGUNXVNFHJ-QKAIHEFKSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C25H36O6 |
| Exact Mass | 432.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DbMzQArMnk5 |
|---|---|
| Name | 3-BETA-ACETOXY,12-ALPHA-HYDROXY-DIGOXIGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O6 |
| InChI | InChI=1S/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-21,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19-,20+,21+,23+,24+,25+/m1/s1 |
| InChIKey | BRPTXGUNXVNFHJ-QKAIHEFKSA-N |
| Literature Reference Author | G.G.HABERMEHL,P.E.HAMMANN,V.WRAY |
| Literature Reference Citation | MAGN.RES.CHEM.,23,959(1985) |
| Literature Reference DOI | 10.1002/mrc.1260231115 |
| Molecular Weight | 432.557 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW16743 |