[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
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[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
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CAS No:
98813-17-3
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Formula:
C22H32O8
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Chemical Name:
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
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Synonyms:
98813-17-3;DTXSID10913076;Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-;4-(Acetyloxy)-3,15-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
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CAS No:
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate Basic Attributes
424.5 g/mol
424.20971797 g/mol
Computed Properties
Molecular Weight:424.5
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:424.20971797
Monoisotopic Mass:424.20971797
Topological Polar Surface Area:115
Heavy Atom Count:30
Complexity:777
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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