3-Oxazolidinepropanoic acid,a-hydroxy-5,5-dimethyl-2,4-dioxo-b-phenyl-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,bS)-


Chemical Name: 3-Oxazolidinepropanoic acid,a-hydroxy-5,5-dimethyl-2,4-dioxo-b-phenyl-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,bS)-
CAS Number: 157067-34-0
Product Number: AG007GRV(AGN-PC-0Q78IJ)
Synonyms:
MDL No:
Molecular Formula: C43H49NO15
Molecular Weight: 819.8469

Identification/Properties


Computed Properties
Molecular Weight:
819.857g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
11
Exact Mass:
819.31g/mol
Monoisotopic Mass:
819.31g/mol
Topological Polar Surface Area:
233A^2
Heavy Atom Count:
59
Formal Charge:
0
Complexity:
1800
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

Safety Information


NMR Spectrum


Other Analytical Data


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