| SpectraBase Compound ID | AQyVxzAvLfL |
|---|---|
| InChI | InChI=1S/C37H52O13/c1-19(38)44-18-29-31(46-20(2)39)32(47-21(3)40)33(48-22(4)41)34(50-29)49-25-9-12-35(5)24(16-25)7-8-28-27(35)10-13-36(6)26(11-14-37(28,36)43)23-15-30(42)45-17-23/h15,24-29,31-34,43H,7-14,16-18H2,1-6H3/t24-,25+,26-,27+,28-,29-,31-,32+,33-,34-,35+,36-,37+/m1/s1 |
| InChIKey | JVPQSPMBCSUIQA-FGZFYBGNSA-N |
| Mol Weight | 704.8 g/mol |
| Molecular Formula | C37H52O13 |
| Exact Mass | 704.340792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9l3Ln3SVc5r |
|---|---|
| Name | DIGITOXIGENIN-3-BETA-O-BETA-D-PERACETYLGLUCOSID,(5-BETA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H52O13 |
| InChI | InChI=1S/C37H52O13/c1-19(38)44-18-29-31(46-20(2)39)32(47-21(3)40)33(48-22(4)41)34(50-29)49-25-9-12-35(5)24(16-25)7-8-28-27(35)10-13-36(6)26(11-14-37(28,36)43)23-15-30(42)45-17-23/h15,24-29,31-34,43H,7-14,16-18H2,1-6H3/t24-,25+,26-,27+,28-,29-,31-,32+,33-,34-,35+,36-,37+/m1/s1 |
| InChIKey | JVPQSPMBCSUIQA-FGZFYBGNSA-N |
| Literature Reference Author | H.T.A.CHEUNG,L.BROWN,J.BOUTAGY,R.THOMAS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1773(1981) |
| Literature Reference DOI | 10.1039/p19810001773 |
| Molecular Weight | 704.812 g/mol |
| Solvent | CDCl3:DMSO |
| Source File Reference | UNIW8515 |