200,000+ products from a single source!
sales@angenechem.com
7224-59-1 | (6as)-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium
CAS No: 7224-59-1 Catalog No: AG005J3G MDL No:
Product Description
Catalog Number:
AG005J3G
Chemical Name:
(6as)-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium
CAS Number:
7224-59-1
Molecular Formula:
C21H26NO4+
Molecular Weight:
356.4354
IUPAC Name:
(6aS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol
InChI:
InChI=1S/C21H25NO4/c1-22(2)9-8-13-11-16(25-4)21(26-5)19-17(13)14(22)10-12-6-7-15(24-3)20(23)18(12)19/h6-7,11,14H,8-10H2,1-5H3/p+1/t14-/m0/s1
InChI Key:
XQINTCORIZHGFD-AWEZNQCLSA-O
SMILES:
COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
356.186g/mol
Formal Charge:
1
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.442g/mol
Monoisotopic Mass:
356.186g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Genetic and chemical comparison of Boi (Sinomeni Caulis et Rhizoma) and Seifuto (Caulis Sinomenii). | Journal of natural medicines 20100701 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.