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63527-13-9 | (7R,13aS)-5,8,13,13a-Tetrahydro-2,9-dihydroxy-3,10-dimethoxy-7-methyl-6H-dibenzo[a,g]quinolizinium
CAS No: 63527-13-9 Catalog No: AG00F60T MDL No:
Product Description
Catalog Number:
AG00F60T
Chemical Name:
(7R,13aS)-5,8,13,13a-Tetrahydro-2,9-dihydroxy-3,10-dimethoxy-7-methyl-6H-dibenzo[a,g]quinolizinium
CAS Number:
63527-13-9
IUPAC Name:
(7R,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol
InChI:
InChI=1S/C20H23NO4/c1-21-7-6-13-9-19(25-3)17(22)10-14(13)16(21)8-12-4-5-18(24-2)20(23)15(12)11-21/h4-5,9-10,16H,6-8,11H2,1-3H3,(H-,22,23)/p+1/t16-,21+/m0/s1
InChI Key:
LKLWVKCEYSPQHL-HRAATJIYSA-O
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
342.171g/mol
Formal Charge:
1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.415g/mol
Monoisotopic Mass:
342.171g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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