[(1S,7R,9R,10R,11S,12R)-10,11-dihydroxy-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)-10,11-dihydroxy-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:
80178-14-9
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Formula:
C17H23ClO6
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Chemical Name:
[(1S,7R,9R,10R,11S,12R)-10,11-dihydroxy-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:
NSC294913;80178-14-9;CHEMBL1970245;DTXSID801001073;NSC-294913;NCI60_002453;ANGUIDINE DERIV 15-CHLOROACETYLSCIRPENE-3,4-DIOL;3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl chloroacetate;Trichothec-9-ene-3,15-triol, 12,13-epoxy-,15-(chloroacetate), (3.alpha.,4.beta.)-
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CAS No:
[(1S,7R,9R,10R,11S,12R)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-chloroacetate Basic Attributes
358.8 g/mol
358.1183161 g/mol
294913
Computed Properties
Molecular Weight:358.8
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:358.1183161
Monoisotopic Mass:358.1183161
Topological Polar Surface Area:88.5
Heavy Atom Count:24
Complexity:608
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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