Trichothecane deriv
[11-(2-chloroacetyl)oxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
Also Known As: TRICHOTHECANE DERIV|Spiro(2,2'-oxirane), trichothec-9-ene-3,4,15-triolderiv.|4-[(Chloroacetyl)oxy]-3-hydroxy-12,13-epoxytrichothec-9-en-15-yl 2-methylprop-2-enoate|Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), trichothec-9-ene-3,4,15-triolderiv.|Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 4-(chloroacetate) 15-(2-methyl-2-propenoate), (3.alpha.,4.beta.)-|Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-(chloroacetate) 15-(2-methyl-2-propenoate), (3.alpha.,4.beta.)-
| Molecular Formula | C21H27ClO7 |
|---|---|
| Molecular Weight | 426.14453 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.14453 |
| Monoisotopic Mass | 426.14453 |
| Heavy Atoms | 29 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 77620-52-1 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)CCl)C)COC(=O)C(=C)C |
| InChIKey | WKNNFQZVGKCJHD-UHFFFAOYSA-N |
Product Overview
Trichothecane deriv (CAS 77620-52-1), with molecular formula C21H27ClO7 and molecular weight 426.14453 g/mol. IUPAC: [11-(2-chloroacetyl)oxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate.
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