Ajugamarin C 1
TL;DR: Ajugamarin C 1 (CAS 121449-64-7) is a chemical compound with molecular formula C24H34O9 and molecular weight 466.22028 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-1-hydroxy-8-[2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
Also Known As: Ajugamarin C 1, [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-1-hydroxy-8-[2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate, {(4R,4aR,5S,6R,8S,8aR)-8-(Acetyloxy)-4-hydroxy-5-[2-hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-5,6-dimethyloctahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl acetate, {8-(Acetyloxy)-4-hydroxy-5-[2-hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-5,6-dimethyloctahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl acetate, 2(5H)-Furanone, 4-(2-(8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-4-hydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)-1-hydroxyethyl)-, (1R-(1alpha,4beta,4abeta,5betaS*),6alpha,8alpha,8aalpha))-
Technical Specifications
| Molecular Formula | C24H34O9 |
| Molecular Weight | 466.22028 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.22028 Da |
| Heavy Atoms | 33 |
| Complexity | 868.0 |
| SMILES | C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CC(C3=CC(=O)OC3)O)[C@@H](CCC24CO4)O)COC(=O)C)OC(=O)C |
| InChIKey | PADJBLVFSWIDDJ-NAPZODGMSA-N |
Chemical Property Profile of Ajugamarin C 1
Property Insights of Ajugamarin C 1
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajugamarin C 1. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajugamarin C 1. Following Lipinski's Rule of Five, Ajugamarin C 1 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ajugamarin C 1?
The CAS number of Ajugamarin C 1 is 121449-64-7.
What is the molecular formula of Ajugamarin C 1?
The molecular formula of Ajugamarin C 1 is C24H34O9.
What is the molecular weight of Ajugamarin C 1?
The molecular weight of Ajugamarin C 1 is 466.22028 g/mol.
Where can I buy Ajugamarin C 1?
You can request a quote for Ajugamarin C 1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ajugamarin C 1?
Yes, CoreyChem provides custom synthesis services for Ajugamarin C 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.