19-Oxocinobufotalin
Request a quote| Catalog Number | ACM24512605 |
| Product Name | 19-Oxocinobufotalin |
| CAS Number | 24512-60-5 |
| IUPAC Name | [(1R,2S,4R,5R,6R,7R,10S,11S,14S,16S)-11-formyl-14,16-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate |
| Synonyms | 16β-(Acetyloxy)-14,15β-epoxy-3β,5-dihydroxy-19-oxo-5β-bufa-20,22-dienolide |
| Molecular Weight | 472.53 |
| Molecular Formula | C26H32O8 |
| Canonical SMILES | CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O)C)C6=COC(=O)C=C6 |
| Inchi | InChI=1S/C26H32O8/c1-14(28)33-21-20(15-3-4-19(30)32-12-15)23(2)8-6-17-18(26(23)22(21)34-26)7-10-25(31)11-16(29)5-9-24(17,25)13-27/h3-4,12-13,16-18,20-22,29,31H,5-11H2,1-2H3/t16-,17-,18+,20-,21+,22+,23+,24-,25-,26+/m0/s1 |
| InChIKey | RDQNOOHJEOAAIW-FSVQXUKKSA-N |
| Boiling Point | 662.8±55.0 °C |
| Purity | 98% |
| Density | 1.40±0.1 g/ml |
| Appearance | Solid |
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