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Home > Encyclopedia > [(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

[(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

[(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 structure

[(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 

structure
  • CAS No:

    98813-17-3

  • Formula:

    C22H32O8

  • 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

  • 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

[(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

Characteristics

115 Ų

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

Guide of [(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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