TL;DR: schisantherinL (CAS 149990-51-2) is a chemical compound with molecular formula C27H30O9 and molecular weight 498.189 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(11R,12S,13R,14R)-14-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] (Z)-2-methylbut-2-enoate
Also Known As: schisantherinL, schisantherin L
| Molecular Formula | C27H30O9 |
| Molecular Weight | 498.189 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.189 Da |
| Heavy Atoms | 36 |
| Complexity | 832.0 |
| SMILES | C/C=C(/C)\C(=O)O[C@@H]1[C@H]([C@H]([C@H](C2=CC3=C(C(=C2C4=C(C5=C(C=C14)OCO5)OC)OC)OCO3)O)C)C |
| InChIKey | JTLHKPZZCOQRTA-NJVXVFQPSA-N |
The XLogP value of 4.5 indicates that schisantherinL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for schisantherinL. Following Lipinski's Rule of Five, schisantherinL has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of schisantherinL is 149990-51-2.
The molecular formula of schisantherinL is C27H30O9.
The molecular weight of schisantherinL is 498.189 g/mol.
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