Phyllactone A
TL;DR: Phyllactone A (CAS 145613-54-3) is a chemical compound with molecular formula C32H50O6 and molecular weight 530.3607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R,4R,5aS,5bR,7aS,8S,11aS,11bR,13R,13aS)-8-ethyl-4-hydroxy-3,5b,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] 3-hydroxypentanoate
Also Known As: Phyllactone A, Phyllactone B, J3.727.855F, [(3R,4R,5aS,5bR,7aS,8S,11aS,11bR,13R,13aS)-8-ethyl-4-hydroxy-3,5b,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] 3-hydroxypentanoate, D(17a)-Homopregn-17-ene-17a-carboxylic acid, 4-ethyl-16,20-dihydroxy-12-((3-hydroxy-1-oxopentyl)oxy)-4,8-dimethyl-, gamma-lactone, (4beta,5alpha,12beta,16alpha,20R)-
Technical Specifications
| Molecular Formula | C32H50O6 |
| Molecular Weight | 530.3607 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.3607 Da |
| Heavy Atoms | 38 |
| Complexity | 1020.0 |
| SMILES | CCC(CC(=O)O[C@@H]1C[C@@H]2[C@]3(CCC[C@]([C@@H]3CC[C@]2([C@H]4[C@]1(C5=C([C@H](OC5=O)C)[C@@H](C4)O)C)C)(C)CC)C)O |
| InChIKey | ASNLHWDCHRXQBN-CSYAWAKVSA-N |
Chemical Property Profile of Phyllactone A
Property Insights of Phyllactone A
The XLogP value of 6.4 indicates that Phyllactone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phyllactone A. Following Lipinski's Rule of Five, Phyllactone A has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phyllactone A?
The CAS number of Phyllactone A is 145613-54-3.
What is the molecular formula of Phyllactone A?
The molecular formula of Phyllactone A is C32H50O6.
What is the molecular weight of Phyllactone A?
The molecular weight of Phyllactone A is 530.3607 g/mol.
Where can I buy Phyllactone A?
You can request a quote for Phyllactone A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phyllactone A?
Yes, CoreyChem provides custom synthesis services for Phyllactone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.