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75601-29-5 | [(4bS)-4b,5,6,7,9,10-Hexahydro-4bα,8-dimethyl-2-(1-methylethyl)phenanthren-9-yl](1H-imidazol-4-yl) ketone
CAS No: 75601-29-5 Catalog No: AG00GMXK MDL No:
Product Description
Catalog Number:
AG00GMXK
Chemical Name:
[(4bS)-4b,5,6,7,9,10-Hexahydro-4bα,8-dimethyl-2-(1-methylethyl)phenanthren-9-yl](1H-imidazol-4-yl) ketone
CAS Number:
75601-29-5
IUPAC Name:
[(4bS)-4b,8-dimethyl-2-propan-2-yl-6,7,9,10-tetrahydro-5H-phenanthren-9-yl]-(1H-imidazol-5-yl)methanone
InChI:
InChI=1S/C23H28N2O/c1-14(2)16-7-8-19-17(10-16)11-18(22(26)20-12-24-13-25-20)21-15(3)6-5-9-23(19,21)4/h7-8,10,12-14,18H,5-6,9,11H2,1-4H3,(H,24,25)/t18?,23-/m1/s1
InChI Key:
LJVFHQCJUXTODM-WBPHRXDCSA-N
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
348.22g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.49g/mol
Monoisotopic Mass:
348.22g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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