Alisol B 23-monoacetate
[1-(3,3-dimethyloxiran-2-yl)-3-[(8S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate
Also Known As: Alisolbacetate|Alisol B 23-acetate|Alisol B 23-monoacetate|23-O-Acetylalisol B|Alisol B,23-acetate|Alisol-B-23-acetate|23-O-Acetylalisol B;|[1-(3,3-dimethyloxiran-2-yl)-3-[(8S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate|11-Hydroxy-3-oxo-24,25-epoxydammar-13(17)-en-23-yl acetate|8alpha,9beta,14beta-Dammar-13(17)-en-3-one, 24,25-epoxy-11beta,23-dihydroxy-, 23-acetate, (23S,24R)-|Dammar-13(17)-en-3-one, 23-(acetyloxy)-24,25-epoxy-11-hydroxy-, (8alpha,9beta,11beta,14beta,23S,24R)-|(5xi,9xi,20xi)-11beta-Hydroxy-3-oxo-8alpha,14beta-24,25-epoxydammar-13(17)-en-23-yl acetate|3-[(3aR,3bS,9aS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-7-oxo-2H,3H,4H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-1-(3,3-dimethyloxiran-2-yl)butyl acetate
| Molecular Formula | C32H50O5 |
|---|---|
| Molecular Weight | 514.36584 g/mol |
| LogP | 6.4109 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.36584 |
| Monoisotopic Mass | 514.36584 |
| Heavy Atoms | 37 |
| Complexity | 1024.1958 |
Chemical Identifiers
| CAS Number | 26575-95-1 |
|---|---|
| SMILES | CC(CC(C1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H](C4[C@]5(CCC(=O)C(C5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O |
Product Overview
Alisol B 23-monoacetate (CAS 26575-95-1), with molecular formula C32H50O5 and molecular weight 514.36584 g/mol. IUPAC: [1-(3,3-dimethyloxiran-2-yl)-3-[(8S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate.