Ajugamarin G 1
TL;DR: Ajugamarin G 1 (CAS 122587-83-1) 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.
[(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxyspiro[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 G 1, [(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxyspiro[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-Butenoic acid, 2-methyl-, 8-(acetyloxy)-8a-((acetyloxy)methyl)-5-(2-(2,5-dihydro-5-oxo-3-furanyl)-2-(2-methyl-1-oxobutoxy)ethyl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (1R-(1alpha,4beta(E),4abeta,5beta(S*(S*)),6alpha,8alpha,8aalpha))-
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](C[C@]1([C@@H](C[C@@H]([C@@]2([C@@H]1[C@@H](CCC23CO3)OC(=O)/C(=C/C)/C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4 |
| InChIKey | JTNPKPFJZRMAJE-OMMMTVEPSA-N |
Chemical Property Profile of Ajugamarin G 1
Property Insights of Ajugamarin G 1
The XLogP value of 4.2 indicates that Ajugamarin G 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 G 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ajugamarin G 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 G 1?
The CAS number of Ajugamarin G 1 is 122587-83-1.
What is the molecular formula of Ajugamarin G 1?
The molecular formula of Ajugamarin G 1 is C34H48O11.
What is the molecular weight of Ajugamarin G 1?
The molecular weight of Ajugamarin G 1 is 632.31964 g/mol.
Where can I buy Ajugamarin G 1?
You can request a quote for Ajugamarin G 1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ajugamarin G 1?
Yes, CoreyChem provides custom synthesis services for Ajugamarin G 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.