[(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] 2-hydroxypropanoate
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[(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] 2-hydroxypropanoate
structure -
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CAS No:
81662-72-8
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Formula:
C18H24O8
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Chemical Name:
[(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] 2-hydroxypropanoate
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Synonyms:
CBD2;81662-72-8;DTXSID601002120;7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl 2-hydroxypropanoate
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CAS No:
[(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] 2-hydroxypropanoate Basic Attributes
368.4 g/mol
368.14711772 g/mol
Computed Properties
Molecular Weight:368.4
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:368.14711772
Monoisotopic Mass:368.14711772
Topological Polar Surface Area:126
Heavy Atom Count:26
Complexity:703
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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