5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate
TL;DR: 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate (CAS 102281-00-5) is a chemical compound with molecular formula C25H36O7 and molecular weight 448.2461 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Also Known As: 16-Monoacetyldiginatigenin, 16-Monoacetyl-diginatigenin, [(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,12-beta,14,16-TETRAHYDROXY-, 16-ACETATE, 3-beta,12-beta,14,16-Tetrahydroxy-5-beta-card-20(22)-enolide 16-acetate
Technical Specifications
| Molecular Formula | C25H36O7 |
| Molecular Weight | 448.2461 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.2461 Da |
| Heavy Atoms | 32 |
| Complexity | 853.0 |
| SMILES | CC(=O)OC1C[C@@]2(C3CC[C@@H]4C[C@H](CC[C@@]4(C3C[C@H]([C@@]2([C@H]1C5=CC(=O)OC5)C)O)C)O)O |
| InChIKey | BOMSEUWJUZCEOA-VENYRCEESA-N |
Chemical Property Profile of 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate
Property Insights of 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate. Following Lipinski's Rule of Five, 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate 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 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate?
The CAS number of 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate is 102281-00-5.
What is the molecular formula of 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate?
The molecular formula of 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate is C25H36O7.
What is the molecular weight of 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate?
The molecular weight of 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate is 448.2461 g/mol.
Where can I buy 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate?
You can request a quote for 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate?
Yes, CoreyChem provides custom synthesis services for 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14,16-tetrahydroxy-, 16-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.