![[(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate structure](/static/products/1311/131180-23-9.webp)
[(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate
TL;DR: [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate (CAS 131180-23-9) is a chemical compound with molecular formula C33H54O7 and molecular weight 562.38696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate
Also Known As: Trichothec-9-en-8-one, 12,13-epoxy-3,7-dihydroxy-15-((1-oxooctadecyl)oxy)-, (3alpha,7alpha)-, 3,7-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl octadecanoate, (12xi)-3alpha,7alpha-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl octadecanoate
Technical Specifications
| Molecular Formula | C33H54O7 |
| Molecular Weight | 562.38696 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Exact Mass | 562.38696 Da |
| Heavy Atoms | 40 |
| Complexity | 901.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@@H]3[C@@H](C[C@]2(C34CO4)C)O |
| InChIKey | KMYRSVHYVJFQFE-FSRKLETHSA-N |
Chemical Property Profile of [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate
Property Insights of [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate
The XLogP value of 7.7 indicates that [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate. Following Lipinski's Rule of Five, [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate?
The CAS number of [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate is 131180-23-9.
What is the molecular formula of [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate?
The molecular formula of [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate is C33H54O7.
What is the molecular weight of [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate?
The molecular weight of [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate is 562.38696 g/mol.
Where can I buy [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate?
You can request a quote for [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate?
Yes, CoreyChem provides custom synthesis services for [(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.