[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 4-hydroxy-3-methylbutanoate
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![[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 4-hydroxy-3-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/72d06208bf554ab29a41f51b1bf46279.png "[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 4-hydroxy-3-methylbutanoate")
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 4-hydroxy-3-methylbutanoate
structure -
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CAS No:
112765-59-0
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Formula:
C24H34O10
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Chemical Name:
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 4-hydroxy-3-methylbutanoate
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Synonyms:
4'-hydroxy T-2 toxin;4-beta-15-diacetoxy-3-alpha-hydroxy-8-alpha-(3-methyl-4-hydroxybutyryloxy)-12,13-epoxytrichothec-9-ene;DTXSID30920888;112765-59-0;4,15-Bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 4-hydroxy-3-methylbutanoate
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CAS No:
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 4-hydroxy-3-methylbutanoate Basic Attributes
482.5 g/mol
482.21519728 g/mol
Computed Properties
Molecular Weight:482.5
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:482.21519728
Monoisotopic Mass:482.21519728
Topological Polar Surface Area:141
Heavy Atom Count:34
Complexity:900
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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