Desacetylscillirosidin
5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Desacetylscillirosidin|KST-1A8811|3beta,6beta,8,14-Tetrahydroxybufa-4,20,22-trienolide|3,6,8,14-Tetrahydroxybufa-4,20,22-trienolide|4-18-00-03177 (Beilstein Handbook Reference)|3-beta,6-beta,8,14-Tetrahydroxybufa-4,20,22-trienolide|(3|A,6|A)-3,6,8,14-tetrahydroxybufa-4,20,22-trienolide|Bufa-4,20,22-trienolide, 3-beta,6-beta,8,14-tetrahydroxy-|Bufa-4,20,22-trienolide, 3beta,6beta,8,14-tetrahydroxy-|5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
| Molecular Formula | C24H32O6 |
|---|---|
| Molecular Weight | 416.21988 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 416.21988 |
| Monoisotopic Mass | 416.21988 |
| Heavy Atoms | 30 |
| Complexity | 875.0 |
Chemical Identifiers
| CAS Number | 7004-95-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H]3[C@]4(CC[C@@H](C=C4[C@@H](C[C@]3([C@]1(CC[C@@H]2C5=COC(=O)C=C5)O)O)O)O)C |
| InChIKey | CAOKMXJYIBQRBR-ZOZWTODISA-N |
Product Overview
Desacetylscillirosidin (CAS 7004-95-7), with molecular formula C24H32O6 and molecular weight 416.21988 g/mol. IUPAC: 5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one.