7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,4a,6,9,10,11,12,12a,12b-decahydro-9,11-dihydroxy-4a,8,13,13-tetramethyl-,(2aR,4aR,6R,9S,11S,12S,12aR,12bS)-


Chemical Name: 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,4a,6,9,10,11,12,12a,12b-decahydro-9,11-dihydroxy-4a,8,13,13-tetramethyl-,(2aR,4aR,6R,9S,11S,12S,12aR,12bS)-
CAS Number: 158830-50-3
Product Number: AG001QXA(AGN-PC-0Q7LPU)
Synonyms:
MDL No:
Molecular Formula: C31H36O10
Molecular Weight: 568.6115

Identification/Properties


Computed Properties
Molecular Weight:
568.619g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
7
Exact Mass:
568.231g/mol
Monoisotopic Mass:
568.231g/mol
Topological Polar Surface Area:
146A^2
Heavy Atom Count:
41
Formal Charge:
0
Complexity:
1210
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
8
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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