[(1S,7R,9R,10R,11S,12R)-10-(2-chloroacetyl)oxy-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-chloroacetate
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[(1S,7R,9R,10R,11S,12R)-10-(2-chloroacetyl)oxy-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-chloroacetate
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CAS No:
80178-16-1
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Formula:
C19H24Cl2O7
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Chemical Name:
[(1S,7R,9R,10R,11S,12R)-10-(2-chloroacetyl)oxy-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-chloroacetate
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Synonyms:
NSC294916;80178-16-1;DTXSID60315501;3,15-Dichloroacetylscirpene-4-ol;NSC-294916;ANGUIDINE DERIV 3,15-DI(CHLOROACETYL)SCIRPENE-4-OL;Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 3,15-bis(chloroacetate), (3.alpha.,4.beta.)-
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CAS No:
[(1S,7R,9R,10R,11S,12R)-10-(2-chloroacetyl)oxy-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-chloroacetate Basic Attributes
435.3 g/mol
434.0899085 g/mol
294916
DTXSID60315501
Computed Properties
Molecular Weight:435.3
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:434.0899085
Monoisotopic Mass:434.0899085
Topological Polar Surface Area:94.6
Heavy Atom Count:28
Complexity:727
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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