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

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

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

[(2S,3S,7R,9R,10R,12S)-3,10-diacetyloxy-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:

    5269-23-8

  • Formula:

    C21H26O9

  • Chemical Name:

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

  • Synonyms:

    (3|A,7|A)-8-oxo-12,13-epoxytrichothec-9-ene-3,7,15-triyl triacetate;DTXSID80275951

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

422.4 g/mol

422.15768240 g/mol

DTXSID80275951

Characteristics

118 Ų

Computed Properties

Molecular Weight:422.4
XLogP3:0.5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:422.15768240
Monoisotopic Mass:422.15768240
Topological Polar Surface Area:118
Heavy Atom Count:30
Complexity:863
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(2S,3S,7R,9R,10R,12S)-3,10-diacetyloxy-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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