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81874-23-9 | [12aS,(+)]-1,2,3,12aβ-Tetrahydro-1-methyl-6,8,9-trimethoxy-12H-[1]benzoxepino[2,3,4-ij]isoquinoline
CAS No: 81874-23-9 Catalog No: AG00GCPE MDL No:
Product Description
Catalog Number:
AG00GCPE
Chemical Name:
[12aS,(+)]-1,2,3,12aβ-Tetrahydro-1-methyl-6,8,9-trimethoxy-12H-[1]benzoxepino[2,3,4-ij]isoquinoline
CAS Number:
81874-23-9
IUPAC Name:
(10S)-4,5,17-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene
InChI:
InChI=1S/C20H23NO4/c1-21-10-9-12-5-7-15(22-2)19-17(12)14(21)11-13-6-8-16(23-3)20(24-4)18(13)25-19/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1
InChI Key:
WXFLVVMTZWLCTQ-AWEZNQCLSA-N
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
341.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.407g/mol
Monoisotopic Mass:
341.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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