3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate
TL;DR: 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate (CAS 514-21-6) is a chemical compound with molecular formula C24H34O6 and molecular weight 418.23553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-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] formate
Also Known As: Gitaloxigenin, 16-Formyl-gitoxigenin, 4-18-00-02457 (Beilstein Handbook Reference), 3-beta,14,16-beta-Trihydroxy-5-beta-card-20(22)-enolide 16-formate, 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate
Technical Specifications
| Molecular Formula | C24H34O6 |
| Molecular Weight | 418.23553 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.23553 Da |
| Heavy Atoms | 30 |
| Complexity | 778.0 |
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)OC=O)O)C)O |
| InChIKey | WPPUBSWJDJKYDK-DMQWCLGJSA-N |
Product Description
Applications: 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate (CAS 514-21-6) is a fine chemical with the molecular formula C24H34O6 and a molecular weight of 418.24 g/mol. Synonyms include Gitaloxigenin and 16-Formyl-gitoxigenin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate
Property Insights of 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate. Following Lipinski's Rule of Five, 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate?
The CAS number of 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate is 514-21-6.
What is the molecular formula of 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate?
The molecular formula of 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate is C24H34O6.
What is the molecular weight of 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate?
The molecular weight of 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate is 418.23553 g/mol.
What are the applications of 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate?
3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate?
You can request a quote for 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate?
Yes, CoreyChem provides custom synthesis services for 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide 16-formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.