Isoparguerol
[5-(1-bromo-2-hydroxyethyl)-8,11-dihydroxy-1,5-dimethyl-15-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl] acetate
Also Known As: Isoparguerol|ISOPARGUEROL B704730K757|(5-(1-bromo-2-hydroxyethyl)-8,11-dihydroxy-1,5-dimethyl-15-tetracyclo(8.6.0.02,7.011,14)hexadec-2-enyl) acetate|[5-(1-bromo-2-hydroxyethyl)-8,11-dihydroxy-1,5-dimethyl-15-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl] acetate|6-(1-Bromo-2-hydroxyethyl)-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 | C22H33BrO5 |
|---|---|
| Molecular Weight | 456.15115 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.15115 |
| Monoisotopic Mass | 456.15115 |
| Heavy Atoms | 28 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 83115-46-2 |
|---|---|
| SMILES | CC(=O)OC1CC2(C(CC(C3C2=CCC(C3)(C)C(CO)Br)O)C4(C1CC4)O)C |
| InChIKey | GQGQFMYAQIAQJH-UHFFFAOYSA-N |
Product Overview
Isoparguerol (CAS 83115-46-2), with molecular formula C22H33BrO5 and molecular weight 456.15115 g/mol. IUPAC: [5-(1-bromo-2-hydroxyethyl)-8,11-dihydroxy-1,5-dimethyl-15-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl] acetate.