Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)-
TL;DR: Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)- (CAS 101199-14-8) is a chemical compound with molecular formula C17H24O5 and molecular weight 308.16238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2R,7R,9S,10R,11S)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-2-yl]methyl acetate
Also Known As: 3,4-Dihydroxytrichotheca-9,12-dien-15-yl acetate, Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)-, 3alpha,4beta-Dihydroxytrichotheca-9,12-dien-15-yl acetate
Technical Specifications
| Molecular Formula | C17H24O5 |
| Molecular Weight | 308.16238 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.16238 Da |
| Heavy Atoms | 22 |
| Complexity | 553.0 |
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H](C3=C)O2)O)O)C)COC(=O)C |
| InChIKey | QACASEBBOVNHKN-VCCANDMLSA-N |
Chemical Property Profile of Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)-
Property Insights of Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)-. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)-. Following Lipinski's Rule of Five, Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)-?
The CAS number of Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)- is 101199-14-8.
What is the molecular formula of Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)-?
The molecular formula of Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)- is C17H24O5.
What is the molecular weight of Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)-?
The molecular weight of Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)- is 308.16238 g/mol.
Where can I buy Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)-?
You can request a quote for Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)-?
Yes, CoreyChem provides custom synthesis services for Trichotheca-9,12-diene-3,4,15-triol, 15-acetate, (3alpha,4beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.