CAS 128-76-7 | 4H-Dibenzo[de,g]quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (6aS)- | CAS Number 128-76-7

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128-76-7 | 4H-Dibenzo[de,g]quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (6aS)-

CAS No: 128-76-7 Catalog No: AG000XOH MDL No:

Product Description

Catalog Number:

AG000XOH

Chemical Name:

4H-Dibenzo[de,g]quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (6aS)-

CAS Number:

128-76-7

Molecular Formula:

C19H21NO4

Molecular Weight:

327.3743

IUPAC Name:

1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol

InChI:

InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3

InChI Key:

GVVXPMORGFYVOO-UHFFFAOYSA-N

SMILES:

COc1c(OC)cc2c3c1c1cc(OC)c(cc1C[C@@H]3NCC2)O

NSC Number:

106610

Properties

Complexity:

447

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

327.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.38g/mol

Monoisotopic Mass:

327.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
[Studies on anti-tumor metastatic constituents from Lindera glauca].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20110401
[Alkaloids from the root of Lindera angustifolia].	Yao xue xue bao = Acta pharmaceutica Sinica 20051001
Antipoliovirus structure-activity relationships of some aporphine alkaloids.	Journal of natural products 19980401