Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)-
TL;DR: Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)- (CAS 2531-11-5) is a chemical compound with molecular formula C17H24O6 and molecular weight 324.1573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,7R,9R,10R,11S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
Also Known As: 4-Acetoxyscirpenol, Monoacetoxyscirpenol, 4-O-Acetoxyscirpenol, KST-1A0062, Scirp-9-ene-3alpha,4beta,15-triol, 4-acetate
Technical Specifications
| Molecular Formula | C17H24O6 |
| Molecular Weight | 324.1573 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.1573 Da |
| Heavy Atoms | 23 |
| Complexity | 588.0 |
| SMILES | CC1=C[C@@H]2[C@](CC1)(C3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)CO |
| InChIKey | YIFMFXZUYBFVFL-DIRMQTSCSA-N |
Chemical Property Profile of Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)-
Property Insights of Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)-
The XLogP value of -0.4 indicates that Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)-. Following Lipinski's Rule of Five, Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)-?
The CAS number of Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)- is 2531-11-5.
What is the molecular formula of Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)-?
The molecular formula of Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)- is C17H24O6.
What is the molecular weight of Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)-?
The molecular weight of Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)- is 324.1573 g/mol.
Where can I buy Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)-?
You can request a quote for Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)-?
Yes, CoreyChem provides custom synthesis services for Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.