(-)-Ajugachin A
TL;DR: (-)-Ajugachin A (CAS 131086-64-1) is a chemical compound with molecular formula C28H40O10 and molecular weight 536.26215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate
Also Known As: Ajugachin A, (-)-Ajugachin A, Caryoptinol, 2-hydroxy-, 3-(2-methylpropanoate), (2alpha,3beta)-, (2S,3R,4aR,5S,6R,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-5-[(3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate, [(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate
Technical Specifications
| Molecular Formula | C28H40O10 |
| Molecular Weight | 536.26215 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.26215 Da |
| Heavy Atoms | 38 |
| Complexity | 1010.0 |
| SMILES | C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)C3C[C@H]4C=CO[C@H]4O3)C[C@H]([C@@H](C25CO5)OC(=O)C(C)C)O)COC(=O)C)OC(=O)C |
| InChIKey | MZEYOXXDMOFRMK-GUXDWVPKSA-N |
Chemical Property Profile of (-)-Ajugachin A
Property Insights of (-)-Ajugachin A
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-Ajugachin A. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-Ajugachin A. Following Lipinski's Rule of Five, (-)-Ajugachin A has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (-)-Ajugachin A?
The CAS number of (-)-Ajugachin A is 131086-64-1.
What is the molecular formula of (-)-Ajugachin A?
The molecular formula of (-)-Ajugachin A is C28H40O10.
What is the molecular weight of (-)-Ajugachin A?
The molecular weight of (-)-Ajugachin A is 536.26215 g/mol.
Where can I buy (-)-Ajugachin A?
You can request a quote for (-)-Ajugachin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (-)-Ajugachin A?
Yes, CoreyChem provides custom synthesis services for (-)-Ajugachin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.