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81846-28-8

81846-28-8 structural image
Product Name: 1H-Benz[f]inden-5-ol, 2,3,3a,4,9,9a-hexahydro-2-[(tetrahydro-2H-pyran-2-yl)oxy]-1-[(1E,3S)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-octen-1-yl]-, (1R,2R,3aS,9aS)-
Formula: C31H46O5
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COMPUTED DESCRIPTORS

Molecular Weight 498.7 g/mol
XLogP3 6.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 10
Exact Mass 498.33452456 g/mol
Monoisotopic Mass 498.33452456 g/mol
Topological Polar Surface Area 57.2 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 682
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes