[(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,4,10-trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
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[(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,4,10-trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
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CAS No:
54831-24-2
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Formula:
C19H26O9
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Chemical Name:
[(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,4,10-trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
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Synonyms:
7,8-Dihydroxydiacetoxyscirpenol;54831-24-2;BRN 5158773;Trichothec-9-ene-3,4,7,8,15-pentol, 12,13-epoxy-, 4,15-diacetate, (3-alpha,4-beta)-;DTXSID70970180;3,7,8-Trihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
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CAS No:
[(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,4,10-trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate Basic Attributes
398.4 g/mol
398.15768240 g/mol
Computed Properties
Molecular Weight:398.4
XLogP3:-1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:398.15768240
Monoisotopic Mass:398.15768240
Topological Polar Surface Area:135
Heavy Atom Count:28
Complexity:750
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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