| SpectraBase Compound ID | 2K1Ghr3K1UR |
|---|---|
| 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-FVGBAMMESA-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 | BqL1ydMebtk |
|---|---|
| Name | DIGITOXIGENIN-3-BETA-O-BETA-D-GLUCOSID,(5-BETA-H) |
| 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-FVGBAMMESA-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 | 536.663 g/mol |
| Solvent | CDCl3:DMSO |
| Source File Reference | UNIW8514 |