Parguerol
[5-(1-bromo-2-hydroxyethyl)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-9-yl] acetate
Also Known As: Parguerol|PARGUEROL B704730K754|[5-(1-bromo-2-hydroxyethyl)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-9-yl] acetate|15-Bromo-7,16,18-trihydroxy-3,19-cyclopimar-9(11)-en-2-yl acetate
| Molecular Formula | C22H33BrO5 |
|---|---|
| Molecular Weight | 456.15115 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.15115 |
| Monoisotopic Mass | 456.15115 |
| Heavy Atoms | 28 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 83115-36-0 |
|---|---|
| SMILES | CC(=O)OC1CC2(C(CC(C3C2=CCC(C3)(C)C(CO)Br)O)C4(C1C4)CO)C |
| InChIKey | NQFSWQKJYOCNSD-UHFFFAOYSA-N |
Product Overview
Parguerol (CAS 83115-36-0), with molecular formula C22H33BrO5 and molecular weight 456.15115 g/mol. IUPAC: [5-(1-bromo-2-hydroxyethyl)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-9-yl] acetate.
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