3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide
TL;DR: 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide (CAS 6100-99-8) is a chemical compound with molecular formula C23H33NO6 and molecular weight 419.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxyiminomethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3H-furan-2-one
Also Known As: Strophanthidin oxime, NCI60_042082, (3beta,5beta)-3,5,14-Trihydroxy-19-(hydroxyimino)card-20-enolide, 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide, (3I(2),5I(2))-3,5,14-Trihydroxy-19-(hydroxyimino)card-20-enolide
| Molecular Formula | C23H33NO6 |
|---|---|
| Molecular Weight | 419.23 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.23077 |
| Heavy Atoms | 30 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 6100-99-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=NO)O |
| InChIKey | SLLODQQGCJRULY-HZXDTFASSA-N |
Product Overview
3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide (CAS 6100-99-8), with molecular formula C23H33NO6 and molecular weight 419.23 g/mol. IUPAC: 4-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxyiminomethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3H-furan-2-one.
Chemical Property Profile of 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide
Property Insights of 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide. Following Lipinski's Rule of Five, 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide?
The CAS number of 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide is 6100-99-8.
What is the molecular formula of 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide?
The molecular formula of 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide is C23H33NO6.
What is the molecular weight of 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide?
The molecular weight of 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide is 419.23 g/mol.
Where can I buy 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide?
You can request a quote for 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3beta,5,14-Trihydroxy-19-(hydroxyimino)-5beta-card-20-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.