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Home > Imidazoles > 75601-27-3
75601-27-3 | 1H-Imidazol-2-yl[(4bS)-4b,5,6,7,8,8aβ,9,10-octahydro-4bα,8α-dimethyl-2-(1-methylethyl)phenanthren-9-yl] ketone
CAS No: 75601-27-3 Catalog No: AG00GDI7 MDL No:
Product Description
Catalog Number:
AG00GDI7
Chemical Name:
1H-Imidazol-2-yl[(4bS)-4b,5,6,7,8,8aβ,9,10-octahydro-4bα,8α-dimethyl-2-(1-methylethyl)phenanthren-9-yl] ketone
CAS Number:
75601-27-3
IUPAC Name:
[(4bS,8S,8aR)-4b,8-dimethyl-2-propan-2-yl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-yl]-(1H-imidazol-2-yl)methanone
InChI:
InChI=1S/C23H30N2O/c1-14(2)16-7-8-19-17(12-16)13-18(21(26)22-24-10-11-25-22)20-15(3)6-5-9-23(19,20)4/h7-8,10-12,14-15,18,20H,5-6,9,13H2,1-4H3,(H,24,25)/t15-,18?,20+,23+/m0/s1
InChI Key:
ZSKHEXHRJOMZQW-ZBURYLLJSA-N
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
350.236g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.506g/mol
Monoisotopic Mass:
350.236g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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