TL;DR: Eumaitenine (CAS 112516-44-6) is a chemical compound with molecular formula C26H34O10 and molecular weight 506.2152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,2R,5S,6S,7R,9R,12R)-5,8,12-triacetyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate
Also Known As: Eumaitenine, TUBULOSIDE A (REFERENCE GRADE), [(1R,2R,5S,6S,7R,9R,12R)-5,8,12-triacetyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate, ((1R,2R,5S,6S,7R,9R,12R)-5,8,12-triacetyloxy-2,6,10,10-tetramethyl-11-oxatricyclo(7.2.1.01,6)dodecan-7-yl) furan-3-carboxylate, (3R,5R,5aS,6S,9R,9aR,10R)-4,6,10-tris(acetyloxy)-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepin-5-yl furan-3-carboxylate
| Molecular Formula | C26H34O10 |
| Molecular Weight | 506.2152 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 506.2152 Da |
| Heavy Atoms | 36 |
| Complexity | 930.0 |
| SMILES | C[C@@H]1CC[C@@H]([C@@]2([C@@]13[C@@H]([C@@H](C([C@@H]2OC(=O)C4=COC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C)C)OC(=O)C |
| InChIKey | ROIYJZDYULCGCZ-ILPQKJIASA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eumaitenine. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Eumaitenine. Following Lipinski's Rule of Five, Eumaitenine has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Eumaitenine is 112516-44-6.
The molecular formula of Eumaitenine is C26H34O10.
The molecular weight of Eumaitenine is 506.2152 g/mol.
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