(1R,2R,7R,9R,12S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
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![(1R,2R,7R,9R,12S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6b5c0cae3cf14a6bba559118edf959ab.png "(1R,2R,7R,9R,12S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one")
(1R,2R,7R,9R,12S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
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CAS No:
81452-35-9
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Formula:
C15H20O5
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Chemical Name:
(1R,2R,7R,9R,12S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
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Synonyms:
81452-35-9;Trichothec-9-en-8-one, 12,13-epoxy-3,15-dihydroxy-;3,15-dihydroxy-12,13-epoxytrichothec-9-en-8-one;DTXSID901001995
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CAS No:
(1R,2R,7R,9R,12S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one Basic Attributes
280.32 g/mol
280.13107373 g/mol
Computed Properties
Molecular Weight:280.32
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:280.13107373
Monoisotopic Mass:280.13107373
Topological Polar Surface Area:79.3
Heavy Atom Count:20
Complexity:528
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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