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2689-17-0 | [1S,(-)]-2',3',8',8'aβ-Tetrahydro-6'-hydroxy-3,5'-dimethoxy-1'-methylspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopenta[ij]isoquinoline]-4-one
CAS No: 2689-17-0 Catalog No: AG00BVNJ MDL No:
Product Description
Catalog Number:
AG00BVNJ
Chemical Name:
[1S,(-)]-2',3',8',8'aβ-Tetrahydro-6'-hydroxy-3,5'-dimethoxy-1'-methylspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopenta[ij]isoquinoline]-4-one
CAS Number:
2689-17-0
IUPAC Name:
(2S,4S)-11-hydroxy-2',10-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
InChI:
InChI=1S/C19H21NO4/c1-20-7-5-11-8-14(23-2)18(22)17-16(11)12(20)9-19(17)6-4-13(21)15(10-19)24-3/h4,6,8,10,12,22H,5,7,9H2,1-3H3/t12-,19+/m0/s1
InChI Key:
RICRDZJWIPYDGM-HXPMCKFVSA-N
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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