TL;DR: (+)-Myristinin A (CAS 145904-69-4) is a chemical compound with molecular formula C33H40O7 and molecular weight 548.2774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,4,6-trihydroxy-3-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
Also Known As: (+)-Myristinin A, Myristinin A, J1.791.076K, 1-[2,4,6-trihydroxy-3-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one, 1-(2,4,6-TRIHYDROXY-3-((2S,4R)-7-HYDROXY-2-(4-HYDROXYPHENYL)-3,4-DIHYDRO-2H-CHROMEN-4-YL)PHENYL)DODECAN-1-ONE
| Molecular Formula | C33H40O7 |
| Molecular Weight | 548.2774 g/mol |
| XLogP | 8.9 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 548.2774 Da |
| Heavy Atoms | 40 |
| Complexity | 753.0 |
| SMILES | CCCCCCCCCCCC(=O)C1=C(C=C(C(=C1O)[C@@H]2C[C@H](OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O)O |
| InChIKey | JGXZVDAPLSTBGZ-IRPSRAIASA-N |
The XLogP value of 8.9 indicates that (+)-Myristinin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Myristinin A. Following Lipinski's Rule of Five, (+)-Myristinin A has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (+)-Myristinin A is 145904-69-4.
The molecular formula of (+)-Myristinin A is C33H40O7.
The molecular weight of (+)-Myristinin A is 548.2774 g/mol.
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