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119060-81-0 | 4H-Dibenzo[de,g]quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,3-trimethoxy-6-methyl-, (R)- (9CI)
CAS No: 119060-81-0 Catalog No: AG000I4L MDL No:
Product Description
Catalog Number:
AG000I4L
Chemical Name:
4H-Dibenzo[de,g]quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,3-trimethoxy-6-methyl-, (R)- (9CI)
CAS Number:
119060-81-0
Molecular Formula:
C20H23NO4
Molecular Weight:
341.4009
IUPAC Name:
(6aR)-1,2,3-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
InChI:
InChI=1S/C20H23NO4/c1-21-9-8-12-16-13(21)10-11-6-5-7-14(22)15(11)17(16)19(24-3)20(25-4)18(12)23-2/h5-7,13,22H,8-10H2,1-4H3/t13-/m1/s1
InChI Key:
JEGHXPQPATUVSK-CYBMUJFWSA-N
SMILES:
COc1c2c3[C@@H](Cc4c2c(O)ccc4)N(C)CCc3c(c1OC)OC
Properties
Complexity:
475
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:
1
Isotope Atom Count:
0
Molecular Weight:
341.407g/mol
Monoisotopic Mass:
341.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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