TL;DR: 1-Oxoeudesm-7(11)-en-8,12-olide (CAS 108044-20-8) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,5R,8aR,9aS)-3,5,8a-trimethyl-4a,5,6,7,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2,8-dione
Also Known As: 1-Oxoeudesm-7(11)-en-8,12-olide, (4aS,5R,8aR,9aS)-3,5,8a-trimethyl-4a,5,6,7,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2,8-dione, Naphtho(2,3-b)furan-2,8(4H,5H)-dione, 4a,6,7,8a,9,9a-hexahydro-3,5,8a-trimethyl-, (4aS-(4aalpha,5alpha,8abeta,9abeta))-, (4aS,5R,8aR,9aS)-3,5,8a-trimethyl-4a,5,6,7,9,9a-hexahydro-4H-benzo(f)(1)benzofuran-2,8-dione, (4aS,5R,8aR,9aS)-3,5,8a-Trimethyl-4a,6,7,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,8(4H,5H)-dione
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.14125 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 Da |
| Heavy Atoms | 18 |
| Complexity | 462.0 |
| SMILES | C[C@@H]1CCC(=O)[C@]2([C@H]1CC3=C(C(=O)O[C@H]3C2)C)C |
| InChIKey | YTCKQTWKHOQCJV-CNUFELBWSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxoeudesm-7(11)-en-8,12-olide. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Oxoeudesm-7(11)-en-8,12-olide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxoeudesm-7(11)-en-8,12-olide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Oxoeudesm-7(11)-en-8,12-olide is 108044-20-8.
The molecular formula of 1-Oxoeudesm-7(11)-en-8,12-olide is C15H20O3.
The molecular weight of 1-Oxoeudesm-7(11)-en-8,12-olide is 248.14125 g/mol.
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