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Home > Encyclopedia > [(1S,2R,3S,7R,9R,10R,11S)-3,10,11-trihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

[(1S,2R,3S,7R,9R,10R,11S)-3,10,11-trihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

[(1S,2R,3S,7R,9R,10R,11S)-3,10,11-trihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate structure

[(1S,2R,3S,7R,9R,10R,11S)-3,10,11-trihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate 

structure
  • CAS No:

    68165-52-6

  • Formula:

    C17H22O8

  • Chemical Name:

    [(1S,2R,3S,7R,9R,10R,11S)-3,10,11-trihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

  • Synonyms:

    68165-52-6;DTXSID40987669;3,4,7-Trihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl acetate;Trichothec-9-en-8-one, 15-(acetyloxy)-12,13-epoxy-3,4,7-trihydroxy-, (3alpha,4beta,7alpha)-

[(1S,2R,3S,7R,9R,10R,11S)-3,10,11-trihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate Basic Attributes

354.4 g/mol

354.13146766 g/mol

Characteristics

126 Ų

Computed Properties

Molecular Weight:354.4
XLogP3:-1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:354.13146766
Monoisotopic Mass:354.13146766
Topological Polar Surface Area:126
Heavy Atom Count:25
Complexity:688
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1S,2R,3S,7R,9R,10R,11S)-3,10,11-trihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

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