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50305-81-2 | CHOLESTEROL TRANS-CINNAMATE
CAS No: 50305-81-2 Catalog No: AG003OV6 MDL No:MFCD00021141
Product Description
Catalog Number:
AG003OV6
Chemical Name:
CHOLESTEROL TRANS-CINNAMATE
CAS Number:
50305-81-2
MDL Number:
MFCD00021141
IUPAC Name:
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-phenylprop-2-enoate
InChI:
InChI=1S/C36H52O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-15,19,25-26,29-33H,9-11,16-18,20-24H2,1-5H3/b19-14+/t26-,29+,30+,31-,32+,33+,35+,36-/m1/s1
InChI Key:
FESYLMLHRKCTFF-MFLJIVHPSA-N
EC Number:
217-869-9
Properties
Complexity:
878
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
1
Exact Mass:
516.397g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.81g/mol
Monoisotopic Mass:
516.397g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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