Cholestane-3,6-diol, 5-bromo-, 3-acetate, (3b,5a,6b)-


Chemical Name: Cholestane-3,6-diol, 5-bromo-, 3-acetate, (3b,5a,6b)-
CAS Number: 1258-35-1
Product Number: AG009F9U(AGN-PC-0O0R0S)
Synonyms:
MDL No:
Molecular Formula: C29H49BrO3
Molecular Weight: 525.60156

Identification/Properties


Computed Properties
Molecular Weight:
525.612g/mol
XLogP3:
9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
7
Exact Mass:
524.287g/mol
Monoisotopic Mass:
524.287g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
724
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
9
Undefined Atom Stereocenter Count:
1
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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