Dunnianin
TL;DR: Dunnianin (CAS 116085-00-8) is a chemical compound with molecular formula C22H28O7 and molecular weight 404.1835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R,4R,5R,6R,7S,12R)-3,4,6-trihydroxy-4,5,12-trimethyl-9-oxo-8-oxatricyclo[5.3.2.01,6]dodecan-5-yl]methyl benzoate
Also Known As: Dunnianin, (6,7,8a-Trihydroxy-7,8,10-trimethyl-3-oxooctahydro-1,4a-ethano-2-benzopyran-8-yl)methyl benzoate, [(1S,6R,7R,8R,8aR,10R)-6,7,8a-Trihydroxy-7,8,10-trimethyl-3-oxooctahydro-1,4a-ethano-2-benzopyran-8-yl]methyl benzoate, 1,4a-Ethano-4aH-2-benzopyran-3(4H)-one, 8-((benzoyloxy)methyl)hexahydro-6,7,8a-trihydroxy-7,8,9-trimethyl-, (1S-(1alpha,4aalpha,6beta,7alpha,8beta,8aalpha,9S*))-
Technical Specifications
| Molecular Formula | C22H28O7 |
| Molecular Weight | 404.1835 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1835 Da |
| Heavy Atoms | 29 |
| Complexity | 703.0 |
| SMILES | C[C@@H]1CC23C[C@H]([C@]([C@@]([C@]2([C@H]1OC(=O)C3)O)(C)COC(=O)C4=CC=CC=C4)(C)O)O |
| InChIKey | JQLDCCVJKRQUNE-ZREKMMHESA-N |
Chemical Property Profile of Dunnianin
Property Insights of Dunnianin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dunnianin. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dunnianin. Following Lipinski's Rule of Five, Dunnianin has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dunnianin?
The CAS number of Dunnianin is 116085-00-8.
What is the molecular formula of Dunnianin?
The molecular formula of Dunnianin is C22H28O7.
What is the molecular weight of Dunnianin?
The molecular weight of Dunnianin is 404.1835 g/mol.
Where can I buy Dunnianin?
You can request a quote for Dunnianin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dunnianin?
Yes, CoreyChem provides custom synthesis services for Dunnianin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.