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Cholesterol hydrocinnamate(14914-99-9) IR2
Product NameCholesterol hydrocinnamate
CAS14914-99-9
Molecular FormulaC36H54O2
Molecular Weight518.81
InChIInChI=1/C36H54O2/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/h6-8,12-13,15,25-26,29-33H,9-11,14,16-24H2,1-5H3/t26-,29+,30+,31-,32+,33+,35+,36-/s3
InChIKey KPNKAGLPVPTLGB-AXXMYTIRNA-N
Smiles[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC4C=CC=CC=4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C |&1:0,6,20,22,26,28,31,33,r|
