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71384-28-6 | (4aS,5R,7S,8aR)-1-Acetyl-5-[[(5S)-6,6aα,7,8,9,10-hexahydro-9α,12-dimethyl-7β,5β-(iminomethano)-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-2-yl]methyl]decahydro-7-methylquinoline
CAS No: 71384-28-6 Catalog No: AG00FK9A MDL No:
Product Description
Catalog Number:
AG00FK9A
Chemical Name:
(4aS,5R,7S,8aR)-1-Acetyl-5-[[(5S)-6,6aα,7,8,9,10-hexahydro-9α,12-dimethyl-7β,5β-(iminomethano)-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-2-yl]methyl]decahydro-7-methylquinoline
CAS Number:
71384-28-6
IUPAC Name:
1-[(4aS,5R,7S,8aR)-5-[[(1S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadeca-2(7),3,5,8-tetraen-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
InChI:
InChI=1S/C30H43N3O/c1-18-11-22-16-28-25(23-15-27(22)29(12-18)32(4)17-23)8-7-24(31-28)14-21-10-19(2)13-30-26(21)6-5-9-33(30)20(3)34/h7-8,16,18-19,21,23,26-27,29-30H,5-6,9-15,17H2,1-4H3/t18-,19+,21-,23-,26+,27-,29+,30-/m1/s1
InChI Key:
PPNVNOLKVFGENI-AHNFEQIISA-N
Properties
Complexity:
809
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
461.341g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.694g/mol
Monoisotopic Mass:
461.341g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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