TL;DR: Manoyl oxide F1 (CAS 122551-69-3) is a chemical compound with molecular formula C22H36O3 and molecular weight 348.26645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-2-yl] acetate
Also Known As: Manoyl oxide F1, Ent-13-epi-12-acetoxymanoyl oxide, [(2R,3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-2-yl] acetate, [(2R,3S,4As,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-2-yl] acetate, (2R,3R,4aS,6aR,10aR,10bS)-3-Ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran-2-yl acetate
| Molecular Formula | C22H36O3 |
| Molecular Weight | 348.26645 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.26645 Da |
| Heavy Atoms | 25 |
| Complexity | 568.0 |
| SMILES | CC(=O)O[C@@H]1C[C@H]2[C@@]3(CCCC([C@H]3CC[C@@]2(O[C@]1(C)C=C)C)(C)C)C |
| InChIKey | KZMQJOCDCYRIJB-PACCEGMYSA-N |
The XLogP value of 5.5 indicates that Manoyl oxide F1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Manoyl oxide F1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Manoyl oxide F1 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Manoyl oxide F1 is 122551-69-3.
The molecular formula of Manoyl oxide F1 is C22H36O3.
The molecular weight of Manoyl oxide F1 is 348.26645 g/mol.
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