[(1R,2S,3S,7R,9R,10R)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3-yl] acetate
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[(1R,2S,3S,7R,9R,10R)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3-yl] acetate
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CAS No:
54996-64-4
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Formula:
C17H22O7
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Chemical Name:
[(1R,2S,3S,7R,9R,10R)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3-yl] acetate
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Synonyms:
7-Acetyldeoxynivalenol;54996-64-4;SCHEMBL1097628;DTXSID30970343;3,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-7-yl acetate;Trichothec-9-en-8-one, 7-(acetyloxy)-12,13-epoxy-3,15-dihydroxy-, (3alpha,7alpha)-
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CAS No:
[(1R,2S,3S,7R,9R,10R)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3-yl] acetate Basic Attributes
338.4 g/mol
338.13655304 g/mol
Computed Properties
Molecular Weight:338.4
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:338.13655304
Monoisotopic Mass:338.13655304
Topological Polar Surface Area:106
Heavy Atom Count:24
Complexity:657
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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