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3019-51-0 | 4H-Dibenzo[de,g]quinoline-1,9-diol,5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (6aS)-
CAS No: 3019-51-0 Catalog No: AG007JA4 MDL No:
Product Description
Catalog Number:
AG007JA4
Chemical Name:
4H-Dibenzo[de,g]quinoline-1,9-diol,5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (6aS)-
CAS Number:
3019-51-0
Molecular Formula:
C37H38N4O10
Molecular Weight:
698.7184
IUPAC Name:
2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol
InChI:
InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3
InChI Key:
LINHZVMHXABQLB-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1=C(C)C2=Cc3[nH]c(c(c3CCC(=O)O)C)C=C3N=C(C=c4[nH]c(=CC1=N2)c(CC(=O)O)c4CCC(=O)O)C(=C3CCC(=O)O)C
NSC Number:
113983
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| [Alkaloids from the root of Lindera angustifolia]. | Yao xue xue bao = Acta pharmaceutica Sinica 20051001 |
| Geographic distribution of three alkaloid chemotypes of Croton lechleri. | Journal of natural products 20020601 |
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