[(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] octadecanoate
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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] octadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0977217494c343d8a324ae77a96f6742.png "[(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] octadecanoate")
[(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] octadecanoate
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CAS No:
131180-22-8
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Formula:
C33H54O7
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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] octadecanoate
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Synonyms:
131180-22-8;DTXSID70927114;Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-((1-oxooctadecyl)oxy)-, (3alpha,7alpha)-;7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl octadecanoate
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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] octadecanoate Basic Attributes
562.8 g/mol
562.38695406 g/mol
Computed Properties
Molecular Weight:562.8
XLogP3:8.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:19
Exact Mass:562.38695406
Monoisotopic Mass:562.38695406
Topological Polar Surface Area:106
Heavy Atom Count:40
Complexity:901
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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