3,14,16-Trihydroxycard-20(22)-enolide
TL;DR: 3,14,16-Trihydroxycard-20(22)-enolide (CAS 1537179-45-5) is a chemical compound with molecular formula C23H34O5 and molecular weight 390.24063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one
Also Known As: Gitoxigenin, Bigitaligenin, gitoxigenin [M+H]+, 16beta-Hydroxydigitoxigenin, 16.beta.-Hydroxydigitoxigenin
Technical Specifications
| Molecular Formula | C23H34O5 |
| Molecular Weight | 390.24063 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.24063 Da |
| Heavy Atoms | 28 |
| Complexity | 718.0 |
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)O)O)C)O |
| InChIKey | PVAMXWLZJKTXFW-UHFFFAOYSA-N |
Chemical Property Profile of 3,14,16-Trihydroxycard-20(22)-enolide
Property Insights of 3,14,16-Trihydroxycard-20(22)-enolide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14,16-Trihydroxycard-20(22)-enolide. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,14,16-Trihydroxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3,14,16-Trihydroxycard-20(22)-enolide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,14,16-Trihydroxycard-20(22)-enolide?
The CAS number of 3,14,16-Trihydroxycard-20(22)-enolide is 1537179-45-5.
What is the molecular formula of 3,14,16-Trihydroxycard-20(22)-enolide?
The molecular formula of 3,14,16-Trihydroxycard-20(22)-enolide is C23H34O5.
What is the molecular weight of 3,14,16-Trihydroxycard-20(22)-enolide?
The molecular weight of 3,14,16-Trihydroxycard-20(22)-enolide is 390.24063 g/mol.
Where can I buy 3,14,16-Trihydroxycard-20(22)-enolide?
You can request a quote for 3,14,16-Trihydroxycard-20(22)-enolide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,14,16-Trihydroxycard-20(22)-enolide?
Yes, CoreyChem provides custom synthesis services for 3,14,16-Trihydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.