Shinjulactone K
TL;DR: Shinjulactone K (CAS 94451-22-6) is a chemical compound with molecular formula C22H32O7 and molecular weight 408.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,6R,7S,9R,13S,14R,15R,16S,17S)-4,16-dihydroxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-15-yl] acetate
Also Known As: Shinjulactone K, (dihydroxy-tetramethyl-dioxo-[?]yl) acetate, Picrasane-1,16-dione, 12-(actyloxy)-2,12-dihydroxy-, (2alpha,11alpha,12alpha), 2alpha,11alpha-Dihydroxy-12alpha-acetoxypicrasane-1,16-dione, 2alpha,11alpha-Dihydroxy-1,16-dioxopicrasan-12alpha-yl acetate
| Molecular Formula | C22H32O7 |
|---|---|
| Molecular Weight | 408.21 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.2148 |
| Heavy Atoms | 29 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 94451-22-6 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H]([C@@H]([C@@H]([C@@H]4CC(=O)O3)C)OC(=O)C)O)C)C)O |
| InChIKey | PTDBSDVVEJXDNB-BNCGWYJDSA-N |
Product Overview
Shinjulactone K (CAS 94451-22-6), with molecular formula C22H32O7 and molecular weight 408.21 g/mol. IUPAC: [(1S,2S,4S,6R,7S,9R,13S,14R,15R,16S,17S)-4,16-dihydroxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-15-yl] acetate.
Chemical Property Profile of Shinjulactone K
Property Insights of Shinjulactone K
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Shinjulactone K. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Shinjulactone K. Following Lipinski's Rule of Five, Shinjulactone K has 2 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 Shinjulactone K?
The CAS number of Shinjulactone K is 94451-22-6.
What is the molecular formula of Shinjulactone K?
The molecular formula of Shinjulactone K is C22H32O7.
What is the molecular weight of Shinjulactone K?
The molecular weight of Shinjulactone K is 408.21 g/mol.
Where can I buy Shinjulactone K?
You can request a quote for Shinjulactone K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shinjulactone K?
Yes, KEHONG BIO provides custom synthesis services for Shinjulactone K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.