[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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![[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 structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5bbbdd59d8634d709c44dfb352c182ae.png "[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")
[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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CAS No:
77620-52-1
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Formula:
C21H27ClO7
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Chemical Name:
[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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Synonyms:
NSC314632;77620-52-1;TRICHOTHECANE DERIV;DTXSID50330809;NSC-314632;Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 4-(chloroacetate) 15-(2-methyl-2-propenoate), (3.alpha.,4.beta.)-
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CAS No:
[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 Basic Attributes
426.9 g/mol
426.1445309 g/mol
314632
DTXSID50330809
Computed Properties
Molecular Weight:426.9
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:426.1445309
Monoisotopic Mass:426.1445309
Topological Polar Surface Area:94.6
Heavy Atom Count:29
Complexity:794
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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