Bufanolide
(5R)-5-[(8R,9S,10S,13S,14R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxan-2-one
Also Known As: bufanolide|Bufadienolide|Bufanolid|5xi-Bufanolide|Bufanolide (8CI,9CI)|(5R)-5-[(8R,9S,10S,13S,14R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxan-2-one|Choladien-24-oic acid, 21-hydroxy-, delta-lactone, (14beta)-|(5R)-5-[(1R,3aR,3bR,9aS,9bS,11aS)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxan-2-one
| Molecular Formula | C24H38O2 |
|---|---|
| Molecular Weight | 358.28717 g/mol |
| LogP | 5.99 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 358.28717 |
| Heavy Atoms | 26 |
| Complexity | 560.6 |
Chemical Identifiers
| CAS Number | 24887-77-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@H]1CC[C@@H]2[C@H]4CCC(=O)OC4)CCC5[C@@]3(CCCC5)C |
Product Overview
Bufanolide (CAS 24887-77-2), with molecular formula C24H38O2 and molecular weight 358.28717 g/mol. IUPAC: (5R)-5-[(8R,9S,10S,13S,14R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxan-2-one.
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