| SpectraBase Compound ID | IEIHxTCiBIn |
|---|---|
| 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-/m0/s1 |
| InChIKey | WQMLFJWIKARBFW-DACIJENLSA-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 | BMiy1qsLDD2 |
|---|---|
| Name | DIGITOXIGENIN-3-BETA-O-ALPHA-L-RHAMNOSID,(5-BETA-H) |
| Copyright | Copyright © 2016-2024 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-/m0/s1 |
| InChIKey | WQMLFJWIKARBFW-DACIJENLSA-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 | 520.664 g/mol |
| Solvent | CDCl3:DMSO |
| Source File Reference | UNIW8509 |