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932042-85-8

932042-85-8 structural image
Product Name: β-(BenzoylaMino)-α-hydroxybenzenepropanoic Acid (αR,βS)-(1S,3S,4S,4aR,5S,6S,8S,11R,12aS)-3,11-Bis(acetyloxy)-4-[(benzoyloxy)Methyl]-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-1,4,5,6-tetrahydroxy-9,12a,13,13-tetraMethyl-12-oxo-6,10-Methanobenzocyclodecen-8-
Formula: C47H53NO15
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COMPUTED DESCRIPTORS

Molecular Weight 871.9 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 15
Exact Mass 871.34151998 g/mol
Monoisotopic Mass 871.34151998 g/mol
Topological Polar Surface Area 253 Ų
Heavy Atom Count 63
Formal Charge 0
Complexity 1780
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes