Paeoniflorigenone
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Paeoniflorigenone
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CAS No:
80454-42-8
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Formula:
C17H18O6
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Chemical Name:
Paeoniflorigenone
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Synonyms:
2,5-Methano-1,3-benzodioxol-6(3aH)-one,8-[(benzoyloxy)methyl]tetrahydro-3a-hydroxy-7a-methyl-,(2S,3aR,5R,7aS,8S)-;2,5-Methano-1,3-benzodioxol-6(3aH)-one,8-[(benzoyloxy)methyl]tetrahydro-3a-hydroxy-7a-methyl-,[2S-(2α,3aβ,5α,7aβ,8R*)]-;(2S,3aR,5R,7aS,8S)-8-[(Benzoyloxy)methyl]tetrahydro-3a-hydroxy-7a-methyl-2,5-methano-1,3-benzodioxol-6(3aH)-one;Paeoniflorigenone;(+)-Paeoniflorigenone
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CAS No:
Computed Properties
Molecular Weight:318.32
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:318.11033829
Monoisotopic Mass:318.11033829
Topological Polar Surface Area:82.1
Heavy Atom Count:23
Complexity:527
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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