Ajugamarin B 5
TL;DR: Ajugamarin B 5 (CAS 123297-93-8) is a chemical compound with molecular formula C29H42O10 and molecular weight 550.2778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-acetyloxy-8-[2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-4a-(hydroxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate
Also Known As: Ajugamarin B 5, [5-acetyloxy-8-[2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-4a-(hydroxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate, 8-(Acetyloxy)-5-[2-(acetyloxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate, Butanoic acid, 2-methyl-, (1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-((2S)-2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl)octahydro-8a-(hydroxymethyl)-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (2S)-, Butanoic acid, 2-methyl-, 8-(acetyloxy)-5-(2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl)octahydro-8a-(hydroxymethyl)-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (1R-(1alpha,4beta(S*),4abeta,5beta(S*),6alpha,8alpha,8aalpha))-
Technical Specifications
| Molecular Formula | C29H42O10 |
| Molecular Weight | 550.2778 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 550.2778 Da |
| Heavy Atoms | 39 |
| Complexity | 1040.0 |
| SMILES | CCC(C)C(=O)OC1CCC2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)OC(=O)C)CO |
| InChIKey | FJJDSPCWGZYQBC-UHFFFAOYSA-N |
Chemical Property Profile of Ajugamarin B 5
Property Insights of Ajugamarin B 5
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajugamarin B 5. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajugamarin B 5. Following Lipinski's Rule of Five, Ajugamarin B 5 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ajugamarin B 5?
The CAS number of Ajugamarin B 5 is 123297-93-8.
What is the molecular formula of Ajugamarin B 5?
The molecular formula of Ajugamarin B 5 is C29H42O10.
What is the molecular weight of Ajugamarin B 5?
The molecular weight of Ajugamarin B 5 is 550.2778 g/mol.
Where can I buy Ajugamarin B 5?
You can request a quote for Ajugamarin B 5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ajugamarin B 5?
Yes, CoreyChem provides custom synthesis services for Ajugamarin B 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.