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

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

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

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

structure
  • CAS No:

    54831-24-2

  • Formula:

    C19H26O9

  • Chemical Name:

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

  • Synonyms:

    7,8-Dihydroxydiacetoxyscirpenol;54831-24-2;BRN 5158773;Trichothec-9-ene-3,4,7,8,15-pentol, 12,13-epoxy-, 4,15-diacetate, (3-alpha,4-beta)-;DTXSID70970180;3,7,8-Trihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate

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

398.4 g/mol

398.15768240 g/mol

Characteristics

135 Ų

Computed Properties

Molecular Weight:398.4
XLogP3:-1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:398.15768240
Monoisotopic Mass:398.15768240
Topological Polar Surface Area:135
Heavy Atom Count:28
Complexity:750
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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