(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
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![(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9334ff40d0c94739b020ad23be2b7170.png "(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one")
(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
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CAS No:
131180-29-5
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Formula:
C21H30O11
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Chemical Name:
(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
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Synonyms:
131180-29-5;DTXSID90927116;Trichothec-9-en-8-one, 12,13-epoxy-15-(beta-D-glucopyranosyloxy)-3,7-dihydroxy-, (3alpha,7alpha)-;3,7-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl hexopyranoside
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CAS No:
(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one Basic Attributes
458.5 g/mol
458.17881177 g/mol
Computed Properties
Molecular Weight:458.5
XLogP3:-2.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:458.17881177
Monoisotopic Mass:458.17881177
Topological Polar Surface Area:179
Heavy Atom Count:32
Complexity:833
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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