Acetylpterosin C
2-[(1R,2R)-1-hydroxy-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]ethyl acetate
Also Known As: Acetylpterosin C|2S,3S-Aceteylpterosin C|1H-Inden-1-one, 6-(2-(acetyloxy)ethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-, trans-(+)-|1h-inden-1-one,6-(2-(acetyloxy)ethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-,trans-(+)-|2-(1-hydroxy-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)ethyl acetate|2-[(1R,2R)-1-hydroxy-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]ethyl acetate|2-[(1R,2R)-1-hydroxy-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl acetate|1H-Inden-1-one, 6-[2-(acetyloxy)ethyl]-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-, (2S-trans)-
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.13617 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.13617 |
| Monoisotopic Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 39765-77-0 |
|---|---|
| SMILES | C[C@@H]1[C@H](C2=C(C1=O)C(=C(C(=C2)C)CCOC(=O)C)C)O |
| InChIKey | KBPAOKSMUDDOIN-MEBBXXQBSA-N |
Product Overview
Acetylpterosin C (CAS 39765-77-0), with molecular formula C16H20O4 and molecular weight 276.13617 g/mol. IUPAC: 2-[(1R,2R)-1-hydroxy-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]ethyl acetate.