200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 180045-91-4
180045-91-4 | penigequinolone A
CAS No: 180045-91-4 Catalog No: AG00AQL6 MDL No:
Product Description
Catalog Number:
AG00AQL6
Chemical Name:
penigequinolone A
CAS Number:
180045-91-4
Molecular Formula:
C27H33NO6
Molecular Weight:
467.5540
IUPAC Name:
4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(E)-2-(2,5,5-trimethyloxan-2-yl)ethenyl]-1,3-dihydroquinolin-2-one
InChI:
InChI=1S/C27H33NO6/c1-25(2)14-15-26(3,34-16-25)13-12-17-6-11-20-21(22(17)29)27(31,23(33-5)24(30)28-20)18-7-9-19(32-4)10-8-18/h6-13,23,29,31H,14-16H2,1-5H3,(H,28,30)/b13-12+
InChI Key:
CVWJKBJRSZXDIW-OUKQBFOZSA-N
SMILES:
CO[C@H]1C(=O)Nc2c([C@]1(O)c1ccc(cc1)OC)c(O)c(cc2)/C=C/[C@]1(C)CCC(CO1)(C)C
Properties
Complexity:
762
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
467.231g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
467.562g/mol
Monoisotopic Mass:
467.231g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.