| SpectraBase Compound ID | FXME31xyNjX |
|---|---|
| InChI | InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 |
| InChIKey | LPMXVESGRSUGHW-HBYQJFLCSA-N |
| Mol Weight | 584.7 g/mol |
| Molecular Formula | C29H44O12 |
| Exact Mass | 584.283277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IHCx1hY3hcs |
|---|---|
| Name | OUABAIN,(3-BETA-O-ALPHA-L-RHAMNOSID,5-BETA-OH,11-ALPHA-OH) |
| CAS Registry Number | 630-60-4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O12 |
| InChI | InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 |
| InChIKey | LPMXVESGRSUGHW-HBYQJFLCSA-N |
| Literature Reference Author | L.BROWN,H.T.A.CHEUNG,R.THOMAS,T.R.WATSON,J.L.E.NEMORIN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1779(1981) |
| Literature Reference DOI | 10.1039/p19810001779 |
| Molecular Weight | 584.661 g/mol |
| Solvent | CDCl3:DMSO |
| Source File Reference | UNIW8525 |