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Cholesterol trans-cinnamate(50305-81-2) MS
Product NameCholesterol trans-cinnamate
CAS50305-81-2
Molecular FormulaC36H52O2
Molecular Weight516.8
InChIInChI=1/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-/s3
InChIKey FESYLMLHRKCTFF-DXWCZKKINA-N
SmilesC1(OC(=O)/C=C/C2=CC=CC=C2)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCCC(C)C)CC3)CC=2 |&1:14,18,20,22,24,28,29,r|
