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151013-39-7 | 2H-Pyrrol-2-one, 3-[[2-[2-[(5-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy]propyl]-1,2,4a,5,6,7,8,8a-octahydro-1,3,6-trimethyl-1-naphthalenyl]carbonyl]-1,5-dihydro-4-hydroxy- (9CI)
CAS No: 151013-39-7 Catalog No: AG001N06 MDL No:
Product Description
Catalog Number:
AG001N06
Chemical Name:
2H-Pyrrol-2-one, 3-[[2-[2-[(5-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy]propyl]-1,2,4a,5,6,7,8,8a-octahydro-1,3,6-trimethyl-1-naphthalenyl]carbonyl]-1,5-dihydro-4-hydroxy- (9CI)
CAS Number:
151013-39-7
Molecular Formula:
C27H42N2O5
Molecular Weight:
474.6328
IUPAC Name:
3-[[2-[2-(5-amino-6-methyloxan-2-yl)oxypropyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione
InChI:
InChI=1S/C27H42N2O5/c1-14-6-7-19-18(10-14)11-15(2)20(12-16(3)33-23-9-8-21(28)17(4)34-23)27(19,5)25(31)24-22(30)13-29-26(24)32/h11,14,16-21,23,31H,6-10,12-13,28H2,1-5H3,(H,29,32)
InChI Key:
NKWRHFUPAYVQCE-UHFFFAOYSA-N
SMILES:
CC(CC1C(=CC2C(C1(C)C(=O)C1=C(O)CNC1=O)CCC(C2)C)C)OC1CCC(C(O1)C)N
Properties
Complexity:
882
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.309g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
474.642g/mol
Monoisotopic Mass:
474.309g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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