Parguerol-16-acetate
[2-[9-acetyloxy-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-5-yl]-2-bromoethyl] acetate
Also Known As: PARGUEROL-16-ACETATE|15-Bromo-7,18-dihydroxy-3,19-cyclopimar-9(11)-ene-2,16-diyl diacetate|[2-[9-acetyloxy-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-5-yl]-2-bromoethyl] acetate
| Molecular Formula | C24H35BrO6 |
|---|---|
| Molecular Weight | 498.1617 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.1617 |
| Monoisotopic Mass | 498.1617 |
| Heavy Atoms | 31 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 83115-43-9 |
|---|---|
| SMILES | CC(=O)OCC(C1(CC=C2C(C1)C(CC3C2(CC(C4C3(C4)CO)OC(=O)C)C)O)C)Br |
| InChIKey | UQVYEAXUIYZUCO-UHFFFAOYSA-N |
Product Overview
Parguerol-16-acetate (CAS 83115-43-9), with molecular formula C24H35BrO6 and molecular weight 498.1617 g/mol. IUPAC: [2-[9-acetyloxy-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-5-yl]-2-bromoethyl] acetate.
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