[(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate
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![[(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f96cfc160bac4553918d421599577b7a.png "[(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate")
[(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate
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CAS No:
131180-23-9
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Formula:
C33H54O7
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Chemical Name:
[(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate
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Synonyms:
131180-23-9;DTXSID30927115;Trichothec-9-en-8-one, 12,13-epoxy-3,7-dihydroxy-15-((1-oxooctadecyl)oxy)-, (3alpha,7alpha)-;3,7-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl octadecanoate
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CAS No:
[(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl octadecanoate Basic Attributes
562.8 g/mol
562.38695406 g/mol
Computed Properties
Molecular Weight:562.8
XLogP3:7.7
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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