7alpha-Acetoxyroylenane
[(4aS)-8-hydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate
Also Known As: 7alpha-acetoxyroylenane|7alpha-Acetoxyroyleanone|7.alpha.-Acetoxyroyleanone|KST-1A7539|(5xi)-14-hydroxy-11,12-dioxoabieta-8,13-dien-7-yl acetate|12-Hydroxy-11,14-dioxoabieta-8,12-dien-7-yl acetate|[(4aS)-8-hydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate|Podocarpa-8,14-dione, 7,12-dihydroxy-13-isopropyl-, 7-acetate (7CI, 8CI)|1, 10-(acetyloxy)-4b,5,6,7,8,8a,9,10-octahydro-3-hydroxy- 4b,8,8-trimethyl-2-(1-methylethyl)-, [4bS-(4b.alpha., 8a.beta.,10.beta.)]-
| Molecular Formula | C22H30O5 |
|---|---|
| Molecular Weight | 374.20932 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.20932 |
| Monoisotopic Mass | 374.20932 |
| Heavy Atoms | 27 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 68366-64-3 |
|---|---|
| SMILES | CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC(C3CC2OC(=O)C)(C)C)C)O |
| InChIKey | MNEJUZVNGNCLJU-PZEOVBFPSA-N |
Product Overview
7alpha-Acetoxyroylenane (CAS 68366-64-3), with molecular formula C22H30O5 and molecular weight 374.20932 g/mol. IUPAC: [(4aS)-8-hydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate.