Ajugacumbin D
TL;DR: Ajugacumbin D (CAS 124961-69-9) is a chemical compound with molecular formula C27H38O8 and molecular weight 490.25668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,4aR,5S,7R,8S,8aR)-5-acetyloxy-3-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
Also Known As: Ajugacumbin D, [(3S,4aR,5S,7R,8S,8aR)-5-acetyloxy-3-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
Technical Specifications
| Molecular Formula | C27H38O8 |
| Molecular Weight | 490.25668 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.25668 Da |
| Heavy Atoms | 35 |
| Complexity | 953.0 |
| SMILES | C/C=C(\C)/C(=O)OC[C@@]12[C@H](CC[C@@H](C13CO3)O)[C@@]([C@@H](C[C@@H]2OC(=O)C)C)(C)CCC4=CC(=O)OC4 |
| InChIKey | IZDJWRQGKKMEJW-KBQMRJELSA-N |
Chemical Property Profile of Ajugacumbin D
Property Insights of Ajugacumbin D
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajugacumbin D. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajugacumbin D. Following Lipinski's Rule of Five, Ajugacumbin D has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ajugacumbin D?
The CAS number of Ajugacumbin D is 124961-69-9.
What is the molecular formula of Ajugacumbin D?
The molecular formula of Ajugacumbin D is C27H38O8.
What is the molecular weight of Ajugacumbin D?
The molecular weight of Ajugacumbin D is 490.25668 g/mol.
Where can I buy Ajugacumbin D?
You can request a quote for Ajugacumbin D directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ajugacumbin D?
Yes, CoreyChem provides custom synthesis services for Ajugacumbin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.