| SpectraBase Compound ID | BUf9PWazr4d |
|---|---|
| InChI | InChI=1S/C29H44O12.8H2O/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;8*1H2/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-;;;;;;;;/m0......../s1 |
| InChIKey | TYBARJRCFHUHSN-DMJRSANLSA-N |
| Mol Weight | 728.779 g/mol |
| Molecular Formula | C29H60O20 |
| Exact Mass | 728.367794 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HkGTfSPVJf |
|---|---|
| Name | ouabain, octahydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H60O20 |
| InChI | InChI=1S/C29H44O12.8H2O/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;8*1H2/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-;;;;;;;;/m0......../s1 |
| InChIKey | TYBARJRCFHUHSN-DMJRSANLSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 35613M |
| Solvent | Polysol |
| Synonyms | 4-[(5S,3R,17R)-5-((6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4,5,6-tetrahydropyran-2-yloxy))-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl]-5-hydrofuran-2-one, hydrate |