Xanthinin
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Xanthinin
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CAS No:
580-49-4
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Formula:
C17H22O5
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Chemical Name:
Xanthinin
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Synonyms:
2H-Cyclohepta[b]furan-2-one,6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-,(3aR,7S,8aS)-;Xanthinin;2H-Cyclohepta[b]furan-2-one,3,3a,4,7,8,8a-hexahydro-6-(1-hydroxy-3-oxobutyl)-7-methyl-3-methylene-,acetate,(3aR,7S,8aS)-;2H-Cyclohepta[b]furan-2-one,6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-;(3aR,7S,8aS)-6-[1-(Acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one;4853-02-5
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CAS No:
Computed Properties
Molecular Weight:306.4
XLogP3:1.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:306.14672380
Monoisotopic Mass:306.14672380
Topological Polar Surface Area:69.7
Heavy Atom Count:22
Complexity:545
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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