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Cholesterol phenylacetate(33998-26-4) IR1
Product NameCholesterol phenylacetate
CAS33998-26-4
Molecular FormulaC35H52O2
Molecular Weight504.79
InChIInChI=1/C35H52O2/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-23-28(37-33(36)22-26-12-7-6-8-13-26)18-20-34(27,4)32(29)19-21-35(30,31)5/h6-8,12-14,24-25,28-32H,9-11,15-23H2,1-5H3/t25-,28+,29+,30-,31+,32+,34+,35-/s3
InChIKey JHFRODPXYCPTCM-KNGZMTKUNA-N
Smiles[C@@]12([H])CC=C3C[C@@H](OC(=O)CC4=CC=CC=C4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C |&1:0,6,19,21,25,27,30,32,r|
