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16356-49-3 | Acetamide, N-[(3α)-cholestan-3-yl]- (9CI)
CAS No: 16356-49-3 Catalog No: AG001U7W MDL No:
Product Description
Catalog Number:
AG001U7W
Chemical Name:
Acetamide, N-[(3α)-cholestan-3-yl]- (9CI)
CAS Number:
16356-49-3
Molecular Formula:
C29H51NO
Molecular Weight:
429.7213
IUPAC Name:
N-[(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide
InChI:
InChI=1S/C29H51NO/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(30-21(4)31)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22-27H,7-18H2,1-6H3,(H,30,31)/t20-,22?,23-,24+,25-,26+,27+,28+,29-/m1/s1
InChI Key:
KSPIGVXMBWTYCY-LODVYVAKSA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CC[C@H](C2)NC(=O)C)C)C
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
429.397g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.733g/mol
Monoisotopic Mass:
429.397g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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