![[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate structure](/static/products/1311/131180-20-6.webp)
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate
TL;DR: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate (CAS 131180-20-6) is a chemical compound with molecular formula C31H40O16 and molecular weight 668.2316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate
Also Known As: Trichothec-9-en-8-one, 15-(acetyloxy)-12,13-epoxy-7-hydroxy-3-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-, (3alpha,7alpha)-, (12xi)-7alpha-Hydroxy-8-oxo-3alpha-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate, 7-Hydroxy-8-oxo-3-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate
Technical Specifications
| Molecular Formula | C31H40O16 |
| Molecular Weight | 668.2316 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 668.2316 Da |
| Heavy Atoms | 47 |
| Complexity | 1370.0 |
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H](C34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)COC(=O)C |
| InChIKey | XOYFCOQUSMOQKC-ODJDFNQLSA-N |
Chemical Property Profile of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate
Property Insights of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate
The XLogP value of -0.5 indicates that [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate has 1 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate?
The CAS number of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate is 131180-20-6.
What is the molecular formula of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate?
The molecular formula of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate is C31H40O16.
What is the molecular weight of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate?
The molecular weight of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate is 668.2316 g/mol.
Where can I buy [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate?
You can request a quote for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate?
Yes, CoreyChem provides custom synthesis services for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.