7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate
TL;DR: 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate (CAS 56676-60-9) is a chemical compound with molecular formula C19H24O8 and molecular weight 380.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,7R,9R,10R)-10-acetyloxy-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: 3,15-Diacetyldeoxynivalenol, KST-1A6226, (3, A,7, A,12xi)-7-hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate
| Molecular Formula | C19H24O8 |
|---|---|
| Molecular Weight | 380.15 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.14713 |
| Heavy Atoms | 27 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 56676-60-9 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)(C3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)COC(=O)C |
| InChIKey | RANGFOQREJPKIH-FUUWDBKASA-N |
Product Overview
7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate (CAS 56676-60-9), with molecular formula C19H24O8 and molecular weight 380.15 g/mol. IUPAC: [(2R,3S,7R,9R,10R)-10-acetyloxy-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate
Property Insights of 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate
The XLogP value of -0.1 indicates that 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate. Following Lipinski's Rule of Five, 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate has 1 hydrogen bond donor(s) and 8 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 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate?
The CAS number of 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate is 56676-60-9.
What is the molecular formula of 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate?
The molecular formula of 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate is C19H24O8.
What is the molecular weight of 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate?
The molecular weight of 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate is 380.15 g/mol.
Where can I buy 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate?
You can request a quote for 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.