3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside
TL;DR: 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside (CAS 28553-21-1) 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-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-12,14-dihydroxy-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: Digoxigenin monodigitoxoside, Digoxigenin-mono(digitoxoside), 3-[(2,6-dideoxyhexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide, 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside, 3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-12,14-dihydroxy-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
Technical Specifications
| Molecular Formula | C29H44O8 |
| Molecular Weight | 520.3036 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 520.3036 Da |
| Heavy Atoms | 37 |
| Complexity | 952.0 |
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)O |
| InChIKey | JFSXBMIFXZFKHD-UHFFFAOYSA-N |
Chemical Property Profile of 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside
Property Insights of 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside. Following Lipinski's Rule of Five, 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside 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 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside?
The CAS number of 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside is 28553-21-1.
What is the molecular formula of 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside?
The molecular formula of 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside is C29H44O8.
What is the molecular weight of 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside?
The molecular weight of 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside is 520.3036 g/mol.
Where can I buy 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside?
You can request a quote for 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside?
Yes, CoreyChem provides custom synthesis services for 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.