Ajugamarin D 1
TL;DR: Ajugamarin D 1 (CAS 121480-72-6) is a chemical compound with molecular formula C29H44O11 and molecular weight 568.2884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,4R,4aR,5S,7R,8S,8aR)-4,4a-bis(acetyloxymethyl)-4,5-dihydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate
Also Known As: Ajugamarin D 1, (1R,4R,4aR,5S,7R,8S,8aR)-4,4a-Bis[(acetyloxy)methyl]-4,5-dihydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-7,8-dimethyldecahydronaphthalen-1-yl (2S)-2-methylbutanoate, [(1R,4R,4aR,5S,7R,8S,8aR)-4,4a-bis(acetyloxymethyl)-4,5-dihydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate, 4,4a-Bis[(acetyloxy)methyl]-4,5-dihydroxy-8-[2-hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-7,8-dimethyldecahydronaphthalen-1-yl 2-methylbutanoate, Butanoic acid, 2-methyl-, 4,4a-bis((acetyloxy)methyl)-8-(2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl)decahydro-4,5-dihydroxy-7,8-dimethyl-1-naphthalenyl ester, (1R-(1alpha(S*),4beta,4abeta,5beta,7beta,8alphaS*),8aalpha))-
Technical Specifications
| Molecular Formula | C29H44O11 |
| Molecular Weight | 568.2884 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 568.2884 Da |
| Heavy Atoms | 40 |
| Complexity | 1020.0 |
| SMILES | CC[C@H](C)C(=O)O[C@@H]1CC[C@@]([C@]2([C@H]1[C@@]([C@@H](C[C@@H]2O)C)(C)C[C@@H](C3=CC(=O)OC3)O)COC(=O)C)(COC(=O)C)O |
| InChIKey | PCXVVBLCDMHQIP-PVHCJARNSA-N |
Chemical Property Profile of Ajugamarin D 1
Property Insights of Ajugamarin D 1
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajugamarin D 1. The TPSA of 166.0 Ų indicates high polarity, suggesting Ajugamarin D 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ajugamarin D 1 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ajugamarin D 1?
The CAS number of Ajugamarin D 1 is 121480-72-6.
What is the molecular formula of Ajugamarin D 1?
The molecular formula of Ajugamarin D 1 is C29H44O11.
What is the molecular weight of Ajugamarin D 1?
The molecular weight of Ajugamarin D 1 is 568.2884 g/mol.
Where can I buy Ajugamarin D 1?
You can request a quote for Ajugamarin D 1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ajugamarin D 1?
Yes, CoreyChem provides custom synthesis services for Ajugamarin D 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.