Epoxyshikoccin
TL;DR: Epoxyshikoccin (CAS 83159-27-7) is a chemical compound with molecular formula C22H30O6 and molecular weight 390.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,6S)-2-hydroxy-5,5,9-trimethyl-17-methylidene-10,16-dioxo-15-oxatetracyclo[11.2.2.01,14.04,9]heptadecan-6-yl] acetate
Also Known As: Epoxyshikoccin, (8S,9aR)-11-Hydroxy-5a,9,9-trimethyl-13-methylidene-5,12-dioxododecahydro-1aH-2,11a-ethanobenzo[5,6]cyclodeca[1,2-b]oxiren-8-yl acetate, 11-Hydroxy-5a,9,9-trimethyl-13-methylidene-5,12-dioxododecahydro-1aH-2,11a-ethanobenzo[5,6]cyclodeca[1,2-b]oxiren-8-yl acetate, 5H-2,6]cyclodec[1,2-b]oxirene-5,12-dione, 8-(acetyloxy)dodecahydro-11-hydroxy-5a,9,9-trimethyl-13-methylene-, [1aR-(1aR*,2S*,5aR*,8S*,9aR*,11R*,11aR*)]-
| Molecular Formula | C22H30O6 |
|---|---|
| Molecular Weight | 390.20 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.20422 |
| Heavy Atoms | 28 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 83159-27-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1CCC2([C@@H](C1(C)C)CC(C34C(O3)C(CCC2=O)C(=C)C4=O)O)C |
| InChIKey | ZQKZJBMQBWMNHT-IEFPHBGOSA-N |
Product Overview
Epoxyshikoccin (CAS 83159-27-7), with molecular formula C22H30O6 and molecular weight 390.20 g/mol. IUPAC: [(4R,6S)-2-hydroxy-5,5,9-trimethyl-17-methylidene-10,16-dioxo-15-oxatetracyclo[11.2.2.01,14.04,9]heptadecan-6-yl] acetate.
Chemical Property Profile of Epoxyshikoccin
Property Insights of Epoxyshikoccin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epoxyshikoccin. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Epoxyshikoccin. Following Lipinski's Rule of Five, Epoxyshikoccin has 1 hydrogen bond donor(s) and 6 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 Epoxyshikoccin?
The CAS number of Epoxyshikoccin is 83159-27-7.
What is the molecular formula of Epoxyshikoccin?
The molecular formula of Epoxyshikoccin is C22H30O6.
What is the molecular weight of Epoxyshikoccin?
The molecular weight of Epoxyshikoccin is 390.20 g/mol.
Where can I buy Epoxyshikoccin?
You can request a quote for Epoxyshikoccin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epoxyshikoccin?
Yes, KEHONG BIO provides custom synthesis services for Epoxyshikoccin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.