3,14,19-Trihydroxybufa-4,20,22-trienolide
5-[(10S,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Scilliglaucosidol|Scilliglaucosidin-19-ol|AC1L1PTB|Scilliglaucosidin-19-ol [German]|3,14,19-Trihydroxybufa-4,20,22-trienolide|3-beta,14,19-Trihydroxybufa-4,20,22-trienolide|(8xi,9xi)-3,14,19-Trihydroxybufa-4,20,22-trienolide|BUFA-4,20,22-TRIENOLIDE, 3-beta,14,19-TRIHYDROXY-|5-[(10S,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
| Molecular Formula | C24H32O5 |
|---|---|
| Molecular Weight | 400.22498 g/mol |
| LogP | 3.13 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.22498 |
| Heavy Atoms | 29 |
| Complexity | 869.0 |
Chemical Identifiers
| CAS Number | 26577-92-4 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5=CC(CC[C@]35CO)O |
Product Overview
3,14,19-Trihydroxybufa-4,20,22-trienolide (CAS 26577-92-4), with molecular formula C24H32O5 and molecular weight 400.22498 g/mol. IUPAC: 5-[(10S,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
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