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20237-53-0 | 2H-Indeno[5,4-f]quinolin-2-one, 7-[(1R)-1,5-dimethylhexyl]-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-1-phenyl-, (4aR,4bS,6aR,7R,9aS,9bS)-
CAS No: 20237-53-0 Catalog No: AG002870 MDL No:
Product Description
Catalog Number:
AG002870
Chemical Name:
2H-Indeno[5,4-f]quinolin-2-one, 7-[(1R)-1,5-dimethylhexyl]-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-1-phenyl-, (4aR,4bS,6aR,7R,9aS,9bS)-
CAS Number:
20237-53-0
Molecular Formula:
C32H47NO
Molecular Weight:
461.7217
IUPAC Name:
(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-6-phenyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
InChI:
InChI=1S/C32H47NO/c1-22(2)10-9-11-23(3)26-15-16-27-25-14-17-29-32(5,28(25)18-20-31(26,27)4)21-19-30(34)33(29)24-12-7-6-8-13-24/h6-8,12-13,17,22-23,25-28H,9-11,14-16,18-21H2,1-5H3/t23-,25+,26-,27+,28+,31-,32-/m1/s1
InChI Key:
BXTWQZJDEZPOJO-UYMDXOAZSA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2c1ccccc1)C)C
NSC Number:
36924
Properties
Complexity:
778
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
461.366g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.734g/mol
Monoisotopic Mass:
461.366g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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