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115569-75-0 | 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13,13-dimethyl-, (13aS)-
CAS No: 115569-75-0 Catalog No: AG000G6P MDL No:
Product Description
Catalog Number:
AG000G6P
Chemical Name:
6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13,13-dimethyl-, (13aS)-
CAS Number:
115569-75-0
Molecular Formula:
C23H29NO4
Molecular Weight:
383.4807
IUPAC Name:
(13aS)-2,3,9,10-tetramethoxy-13,13-dimethyl-5,6,8,13a-tetrahydroisoquinolino[2,1-b]isoquinoline
InChI:
InChI=1S/C23H29NO4/c1-23(2)17-7-8-18(25-3)21(28-6)16(17)13-24-10-9-14-11-19(26-4)20(27-5)12-15(14)22(23)24/h7-8,11-12,22H,9-10,13H2,1-6H3/t22-/m1/s1
InChI Key:
SONXPAJNVIQKDH-JOCHJYFZSA-N
SMILES:
COc1cc2CCN3[C@H](c2cc1OC)C(C)(C)c1c(C3)c(OC)c(cc1)OC
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
383.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.488g/mol
Monoisotopic Mass:
383.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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