SpectraBase Compound ID | 4rF6STstlSB |
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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 |
SpectraBase Spectrum ID | GNUQ7mw56BM |
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Name | 3-[(6-DESOXY-ALPHA-MANNOPYRANOSYL)-OXY]-1,5,11-ALPHA,14,19-PENTAHYDROXY-CARD-20(22)-ENOLIDE,OUABAIN,CONFORMER-#1 |
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 | UWED11145 |