4-[(1R,2R,3S,7R,9R,10R)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-4-oxobutanoic acid
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![4-[(1R,2R,3S,7R,9R,10R)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d5d99293293f4ef291d00423028fd3e6.png "4-[(1R,2R,3S,7R,9R,10R)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-4-oxobutanoic acid")
4-[(1R,2R,3S,7R,9R,10R)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-4-oxobutanoic acid
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CAS No:
113507-96-3
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Formula:
C19H24O9
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Chemical Name:
4-[(1R,2R,3S,7R,9R,10R)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-4-oxobutanoic acid
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Synonyms:
DTXSID20921086;113507-96-3;4-[(7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl)oxy]-4-oxobutanoic acid
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CAS No:
4-[(1R,2R,3S,7R,9R,10R)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-4-oxobutanoic acid Basic Attributes
396.4 g/mol
396.14203234 g/mol
Computed Properties
Molecular Weight:396.4
XLogP3:-0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:396.14203234
Monoisotopic Mass:396.14203234
Topological Polar Surface Area:143
Heavy Atom Count:28
Complexity:775
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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