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39027-76-4 | (1S,3aβ,6aβ)-Dodecahydro-1α-ethyl-9aβ-methylpyrido[2,1,6-de]quinolizin-2β-ol
CAS No: 39027-76-4 Catalog No: AG00D3XF MDL No:
Product Description
Catalog Number:
AG00D3XF
Chemical Name:
(1S,3aβ,6aβ)-Dodecahydro-1α-ethyl-9aβ-methylpyrido[2,1,6-de]quinolizin-2β-ol
CAS Number:
39027-76-4
IUPAC Name:
(1R,2S,3S,5S,9R)-2-ethyl-1-methyl-13-azatricyclo[7.3.1.05,13]tridecan-3-ol
InChI:
InChI=1S/C15H27NO/c1-3-13-14(17)10-12-7-4-6-11-8-5-9-15(13,2)16(11)12/h11-14,17H,3-10H2,1-2H3/t11-,12+,13-,14+,15-/m1/s1
InChI Key:
OCKFTNZOPPWTQJ-QKGCVVFFSA-N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
237.209g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.387g/mol
Monoisotopic Mass:
237.209g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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