Ajugamarin E 2
TL;DR: Ajugamarin E 2 (CAS 123297-95-0) is a chemical compound with molecular formula C27H40O9 and molecular weight 508.26724 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4a-(acetyloxymethyl)-4,8-dihydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
Also Known As: Ajugamarin E 2, (1S)-2-{(4R,4aR,5S,6R,8S,8aR)-8a-[(Acetyloxy)methyl]-4,8-dihydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl}-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl (2S)-2-methylbutanoate, [(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4a-(acetyloxymethyl)-4,8-dihydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate, 2-{8a-[(Acetyloxy)methyl]-4,8-dihydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl}-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl 2-methylbutanoate, Butanoic acid, 2-methyl-, (1S)-2-((1R,4R,4aR,5S,6R,8S,8aR)-8a-((acetyloxy)methyl)octahydro-4,8-dihydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2S)-
Technical Specifications
| Molecular Formula | C27H40O9 |
| Molecular Weight | 508.26724 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 508.26724 Da |
| Heavy Atoms | 36 |
| Complexity | 930.0 |
| SMILES | CC[C@H](C)C(=O)O[C@@H](C[C@]1([C@@H](C[C@@H]([C@@]2([C@@H]1[C@@H](CCC23CO3)O)COC(=O)C)O)C)C)C4=CC(=O)OC4 |
| InChIKey | VSIJCFRXIFHCDV-BHVGLEMXSA-N |
Chemical Property Profile of Ajugamarin E 2
Property Insights of Ajugamarin E 2
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajugamarin E 2. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajugamarin E 2. Following Lipinski's Rule of Five, Ajugamarin E 2 has 2 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 Ajugamarin E 2?
The CAS number of Ajugamarin E 2 is 123297-95-0.
What is the molecular formula of Ajugamarin E 2?
The molecular formula of Ajugamarin E 2 is C27H40O9.
What is the molecular weight of Ajugamarin E 2?
The molecular weight of Ajugamarin E 2 is 508.26724 g/mol.
Where can I buy Ajugamarin E 2?
You can request a quote for Ajugamarin E 2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ajugamarin E 2?
Yes, CoreyChem provides custom synthesis services for Ajugamarin E 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.