Ajugavensin A
TL;DR: Ajugavensin A (CAS 140400-73-3) is a chemical compound with molecular formula C29H44O9 and molecular weight 536.2985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,4aR,5S,7R,8S,8aR)-8-[(3aR,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
Also Known As: Ajugavensin A, [(1R,4aR,5S,7R,8S,8aR)-8-[(3aR,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate, (4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl (2S)-2-methylbutanoate, 8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-(hexahydrofuro[2,3-b]furan-2-yl)-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate
Technical Specifications
| Molecular Formula | C29H44O9 |
| Molecular Weight | 536.2985 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 536.2985 Da |
| Heavy Atoms | 38 |
| Complexity | 952.0 |
| SMILES | CC[C@H](C)C(=O)O[C@@H]1CCC2(CO2)[C@]3([C@H]1[C@@]([C@@H](C[C@@H]3OC(=O)C)C)(C)C4C[C@H]5CCO[C@H]5O4)COC(=O)C |
| InChIKey | LVCGFOUBGCCIHG-NVBYUWJMSA-N |
Chemical Property Profile of Ajugavensin A
Property Insights of Ajugavensin A
The XLogP value of 3.8 indicates that Ajugavensin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajugavensin A. Following Lipinski's Rule of Five, Ajugavensin A has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ajugavensin A?
The CAS number of Ajugavensin A is 140400-73-3.
What is the molecular formula of Ajugavensin A?
The molecular formula of Ajugavensin A is C29H44O9.
What is the molecular weight of Ajugavensin A?
The molecular weight of Ajugavensin A is 536.2985 g/mol.
Where can I buy Ajugavensin A?
You can request a quote for Ajugavensin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ajugavensin A?
Yes, CoreyChem provides custom synthesis services for Ajugavensin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.