Isoboonein
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Isoboonein
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CAS No:
99946-04-0
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Formula:
C9H14O3
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Chemical Name:
Isoboonein
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Synonyms:
Isoboonein;(4aR,6S,7R,7aS)-Hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-3(1H)-one
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CAS No:
Computed Properties
Molecular Weight:170.21
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:170.094294304
Monoisotopic Mass:170.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:202
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Splendoside Formula
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Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate Formula
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