Isoparguerol-16-acetate
[2-(15-acetyloxy-8,11-dihydroxy-1,5-dimethyl-5-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl)-2-bromoethyl] acetate
Also Known As: Isoparguerol-16-acetate|ISOPARGUEROL-16-ACETATE B704730K758|(2-(15-acetyloxy-8,11-dihydroxy-1,5-dimethyl-5-tetracyclo(8.6.0.02,7.011,14)hexadec-2-enyl)-2-bromoethyl) acetate|[2-(15-acetyloxy-8,11-dihydroxy-1,5-dimethyl-5-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl)-2-bromoethyl] acetate|6-[2-(Acetyloxy)-1-bromoethyl]-2a,4-dihydroxy-6,8b-dimethyl-1,2,2a,2b,3,4,4a,5,6,7,8b,9,10,10a-tetradecahydrocyclobuta[a]phenanthren-10-yl acetate
| Molecular Formula | C24H35BrO6 |
|---|---|
| Molecular Weight | 498.1617 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.1617 |
| Monoisotopic Mass | 498.1617 |
| Heavy Atoms | 31 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 83115-48-4 |
|---|---|
| SMILES | CC(=O)OCC(C1(CC=C2C(C1)C(CC3C2(CC(C4C3(CC4)O)OC(=O)C)C)O)C)Br |
| InChIKey | WPIOQMPNSKHZNV-UHFFFAOYSA-N |
Product Overview
Isoparguerol-16-acetate (CAS 83115-48-4), with molecular formula C24H35BrO6 and molecular weight 498.1617 g/mol. IUPAC: [2-(15-acetyloxy-8,11-dihydroxy-1,5-dimethyl-5-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl)-2-bromoethyl] acetate.