3,12-Dihydroxy-14,15-epoxybufa-20,22-dienolide
5-[(2S,4R,6R,7S,8R,11S,14S,16R)-8,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
Also Known As: 12-beta-Hydroxyresibufogenin, 12beta-hydroxyresibufogenin, 3,12-Dihydroxy-14,15-epoxybufa-20,22-dienolide, (3-beta,5-beta,12-beta,15-beta)-3,12-Dihydroxy-14,15-epoxybufa-20,22-dienolide, Bufa-20,22-dienolide, 3,12-dihydroxy-14,15-epoxy-, (3-beta,5-beta,12-beta,15-beta)-, (8xi,9xi)-3beta,12beta-Dihydroxy-5beta,15beta-14,15-epoxybufa-20,22-dienolide
| Molecular Formula | C24H32O5 |
|---|---|
| Molecular Weight | 400.22498 g/mol |
| LogP | 3.23 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 400.22498 |
| Heavy Atoms | 29 |
| Complexity | 875 |
Chemical Identifiers
| CAS Number | 2042-58-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2C[C@H]([C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O |
Product Overview
3,12-Dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS 2042-58-2), with molecular formula C24H32O5 and molecular weight 400.22498 g/mol. IUPAC: 5-[(2S,4R,6R,7S,8R,11S,14S,16R)-8,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one.
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