Home Carboxys 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 3-fluorohexadecahydro-1,4a,6a-triMethyl-2-oxo-, Methyl ester, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-

1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 3-fluorohexadecahydro-1,4a,6a-triMethyl-2-oxo-, Methyl ester, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-

CAS No.:
914087-65-3
Catalog Number:
AG00GTXV
Molecular Formula:
C21H32FNO3
Molecular Weight:
365.4821
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Product Description
Catalog Number:
AG00GTXV
Chemical Name:
1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 3-fluorohexadecahydro-1,4a,6a-triMethyl-2-oxo-, Methyl ester, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-
CAS Number:
914087-65-3
Molecular Formula:
C21H32FNO3
Molecular Weight:
365.4821
MDL Number:
MFCD26960994
IUPAC Name:
methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-8-fluoro-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxylate
InChI:
InChI=1S/C21H32FNO3/c1-20-10-9-14-12(13(20)6-7-15(20)19(25)26-4)5-8-17-21(14,2)11-16(22)18(24)23(17)3/h12-17H,5-11H2,1-4H3/t12-,13-,14-,15+,16?,17+,20-,21+/m0/s1
InChI Key:
KORNLUVRNUHNPK-OSAZUBOVSA-N
SMILES:
COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC(F)C(=O)N2C
Properties
Complexity:
624  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
365.237g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.489g/mol
Monoisotopic Mass:
365.237g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties