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Home > Encyclopedia > [(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-methylbutanoate

[(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-methylbutanoate

[(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-methylbutanoate structure

[(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-methylbutanoate 

structure
  • CAS No:

    99285-99-1

  • Formula:

    C22H32O7

  • Chemical Name:

    [(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-methylbutanoate

  • Synonyms:

    AC1L4MYS;Deepoxytoxin HT 2 3-acetate;Deepoxy-HT 2 toxin 3-acetate;Deepoxymycotoxin HT 2 3-acetate;DTXSID80276685;115827-79-7;99285-99-1;Trichotheca-9,12-diene-3,4,8,15-tetrol, 15-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-

[(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-methylbutanoate Basic Attributes

408.5 g/mol

408.21480336 g/mol

DTXSID80276685

Characteristics

102 Ų

Computed Properties

Molecular Weight:408.5
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:408.21480336
Monoisotopic Mass:408.21480336
Topological Polar Surface Area:102
Heavy Atom Count:29
Complexity:741
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-methylbutanoate

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