![3-[(6-DESOXY-ALPHA-MANNOPYRANOSYL)-OXY]-1,5,11-ALPHA,14,19-PENTAHYDROXY-CARD-20(22)-ENOLIDE,OUABAIN](/api/spectrum/4Uoq1yvsmN0/structure.png?h=300&w=458 "3-[(6-DESOXY-ALPHA-MANNOPYRANOSYL)-OXY]-1,5,11-ALPHA,14,19-PENTAHYDROXY-CARD-20(22)-ENOLIDE,OUABAIN")
| SpectraBase Compound ID | 4rF6STstlSB |
|---|---|
| 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-ORKYRKOFSA-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 | 4Uoq1yvsmN0 |
|---|---|
| Name | 3-[(6-DESOXY-ALPHA-MANNOPYRANOSYL)-OXY]-1,5,11-ALPHA,14,19-PENTAHYDROXY-CARD-20(22)-ENOLIDE,OUABAIN |
| 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-ORKYRKOFSA-N |
| Literature Reference Author | D.D.MCINTYRE,M.W.GERMANN,H.J.VOGEL |
| Literature Reference Citation | CAN.J.CHEM.,68,1263(1990) |
| Literature Reference DOI | 10.1139/v90-195 |
| Molecular Weight | 584.661 g/mol |
| Solvent | CDCl3:DMSO=1:2 |
| Source File Reference | UWED11144 |