Cholesteryl acetate(604-35-3) MS
Product NameCholesteryl acetate
CAS604-35-3
Molecular FormulaC29H48O2
Molecular Weight428.69
InChIInChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/s3
InChIKey XUGISPSHIFXEHZ-DPNFJBQJNA-N
Smiles[C@@]12([H])CC=C3C[C@@H](OC(=O)C)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C |&1:0,6,13,15,19,21,24,26,r|
