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

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

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

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

structure
  • CAS No:

    6121-60-4

  • Formula:

    C19H26O7

  • Chemical Name:

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

  • Synonyms:

    6121-60-4;Anguidine deriv 3,15-diacetoxyscirpene-4-ol;NSC301462;DTXSID90976720;(3.alpha.,15-Diacetoxyscirpene-4-ol;NSC-301462;4-hydroxy-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate;Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 3,15-diacetate, (3.alpha.,4.beta.)-

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

366.4 g/mol

366.16785316 g/mol

301462

Characteristics

94.6 Ų

Computed Properties

Molecular Weight:366.4
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:366.16785316
Monoisotopic Mass:366.16785316
Topological Polar Surface Area:94.6
Heavy Atom Count:26
Complexity:687
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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