Ajugamarin H 1
TL;DR: Ajugamarin H 1 (CAS 122616-88-0) is a chemical compound with molecular formula C34H48O11 and molecular weight 632.31964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-[(E)-2-methylbut-2-enoyl]oxy-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
Also Known As: Ajugamarin H 1, Ajugamarin H1, [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-[(E)-2-methylbut-2-enoyl]oxy-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
Technical Specifications
| Molecular Formula | C34H48O11 |
| Molecular Weight | 632.31964 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 632.31964 Da |
| Heavy Atoms | 45 |
| Complexity | 1270.0 |
| 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)C[C@@H](C4=CC(=O)OC4)OC(=O)/C(=C/C)/C)COC(=O)C |
| InChIKey | YUTIPMUBYJJHKA-CKTDTYOHSA-N |
Chemical Property Profile of Ajugamarin H 1
Property Insights of Ajugamarin H 1
The XLogP value of 4.2 indicates that Ajugamarin H 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Ajugamarin H 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ajugamarin H 1 has 0 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 H 1?
The CAS number of Ajugamarin H 1 is 122616-88-0.
What is the molecular formula of Ajugamarin H 1?
The molecular formula of Ajugamarin H 1 is C34H48O11.
What is the molecular weight of Ajugamarin H 1?
The molecular weight of Ajugamarin H 1 is 632.31964 g/mol.
Where can I buy Ajugamarin H 1?
You can request a quote for Ajugamarin H 1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ajugamarin H 1?
Yes, CoreyChem provides custom synthesis services for Ajugamarin H 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.