TL;DR: Eriocarpin (CAS 66419-09-8) is a chemical compound with molecular formula C29H42O9 and molecular weight 534.2829 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1S,3R,8R,10S,12R,14S,18R,19R,22S)-5,6,7,22-tetrahydroxy-8,14,18-trimethyl-4,9,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one
Also Known As: Eriocarpin, Card-20(22)-enolide, 14-hydroxy-2,3-((tetrahydro-3,4,5-trihydroxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2-alpha(2S,6R),3-beta,5-alpha)-
| Molecular Formula | C29H42O9 |
| Molecular Weight | 534.2829 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 534.2829 Da |
| Heavy Atoms | 38 |
| Complexity | 1050.0 |
| SMILES | C[C@@H]1C(C(C2([C@@H](O1)O[C@@H]3C[C@]4([C@@H](CCC5C4CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)C[C@H]3O2)C)O)O)O |
| InChIKey | DDYLPCGVEMZNJL-VEPOLLGMSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eriocarpin. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Eriocarpin. Following Lipinski's Rule of Five, Eriocarpin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Eriocarpin is 66419-09-8.
The molecular formula of Eriocarpin is C29H42O9.
The molecular weight of Eriocarpin is 534.2829 g/mol.
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