14-Dehydroxy-3-glucodigitoxigenin
TL;DR: 14-Dehydroxy-3-glucodigitoxigenin (CAS 102492-19-3) is a chemical compound with molecular formula C29H44O8 and molecular weight 520.3036 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: 14-Dehydroxy-3-glucodigitoxigenin, 3-(Hexopyranosyloxy)card-20(22)-enolide, SID:134223043, 3-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3beta-(beta-D-Glucopyranosyloxy)-5beta,14alpha-card-20(22)-enolide
Technical Specifications
| Molecular Formula | C29H44O8 |
| Molecular Weight | 520.3036 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.3036 Da |
| Heavy Atoms | 37 |
| Complexity | 922.0 |
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C5=CC(=O)OC5)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| InChIKey | ZHVOBYWXERUHMN-KVJKMEBSSA-N |
Chemical Property Profile of 14-Dehydroxy-3-glucodigitoxigenin
Property Insights of 14-Dehydroxy-3-glucodigitoxigenin
The XLogP value of 3.4 indicates that 14-Dehydroxy-3-glucodigitoxigenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Dehydroxy-3-glucodigitoxigenin. Following Lipinski's Rule of Five, 14-Dehydroxy-3-glucodigitoxigenin has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 14-Dehydroxy-3-glucodigitoxigenin?
The CAS number of 14-Dehydroxy-3-glucodigitoxigenin is 102492-19-3.
What is the molecular formula of 14-Dehydroxy-3-glucodigitoxigenin?
The molecular formula of 14-Dehydroxy-3-glucodigitoxigenin is C29H44O8.
What is the molecular weight of 14-Dehydroxy-3-glucodigitoxigenin?
The molecular weight of 14-Dehydroxy-3-glucodigitoxigenin is 520.3036 g/mol.
Where can I buy 14-Dehydroxy-3-glucodigitoxigenin?
You can request a quote for 14-Dehydroxy-3-glucodigitoxigenin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 14-Dehydroxy-3-glucodigitoxigenin?
Yes, CoreyChem provides custom synthesis services for 14-Dehydroxy-3-glucodigitoxigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.