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22957-18-2 | Naphtho[2,1-f]quinolin-2(1H)-one, hexadecahydro-8-methoxy-10a,12a-dimethyl-, (4aS,4bR,6aS,8S,10aS,10bS,12aS)-
CAS No: 22957-18-2 Catalog No: AG002LNW MDL No:
Product Description
Catalog Number:
AG002LNW
Chemical Name:
Naphtho[2,1-f]quinolin-2(1H)-one, hexadecahydro-8-methoxy-10a,12a-dimethyl-, (4aS,4bR,6aS,8S,10aS,10bS,12aS)-
CAS Number:
22957-18-2
Molecular Formula:
C20H33NO2
Molecular Weight:
319.4815
IUPAC Name:
8-methoxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-2-one
InChI:
InChI=1S/C20H33NO2/c1-19-10-8-14(23-3)12-13(19)4-5-15-16(19)9-11-20(2)17(15)6-7-18(22)21-20/h13-17H,4-12H2,1-3H3,(H,21,22)
InChI Key:
CDWIUPBXROZZAW-UHFFFAOYSA-N
SMILES:
CO[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C
NSC Number:
137013
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.251g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.489g/mol
Monoisotopic Mass:
319.251g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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