(6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate
TL;DR: (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate (CAS 81331-34-2) is a chemical compound with molecular formula C17H22O6 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,7R,9R,10R,11S,12S)-2-formyl-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
Also Known As: (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate, [(1S,7R,9R,10R,11S,12S)-2-formyl-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
| Molecular Formula | C17H22O6 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.14163 |
| Heavy Atoms | 23 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 81331-34-2 |
|---|---|
| SMILES | CC1=C[C@@H]2C(CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)C=O |
| InChIKey | DJQLPWGJZFWEOK-MGVGWWIRSA-N |
Product Overview
(6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate (CAS 81331-34-2), with molecular formula C17H22O6 and molecular weight 322.14 g/mol. IUPAC: [(1S,7R,9R,10R,11S,12S)-2-formyl-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate.
Chemical Property Profile of (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate
Property Insights of (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate
The XLogP value of -0.5 indicates that (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate. Following Lipinski's Rule of Five, (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate 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 (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate?
The CAS number of (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate is 81331-34-2.
What is the molecular formula of (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate?
The molecular formula of (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate is C17H22O6.
What is the molecular weight of (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate?
The molecular weight of (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate is 322.14 g/mol.
Where can I buy (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate?
You can request a quote for (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (6xi)-3beta-Hydroxy-15-oxo-12,13-epoxytrichothec-9-en-4alpha-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.