Cholesteryl oleyl carbonate(17110-51-9) IR2
Molecular FormulaC46H80O3
Molecular Weight681.13
InChIInChI=1/C46H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-48-44(47)49-39-30-32-45(5)38(35-39)26-27-40-42-29-28-41(37(4)25-23-24-36(2)3)46(42,6)33-31-43(40)45/h14-15,26,36-37,39-43H,7-13,16-25,27-35H2,1-6H3/b15-14-/t37-,39+,40+,41-,42+,43+,45+,46-/s3
InChIKey XMPIMLRYNVGZIA-LDPLKVIWNA-N
Smiles[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CC=C1C[C@@H](OC(=O)OCCCCCCCC/C=C\CCCCCCCC)CC[C@]21C)[C@H](C)CCCC(C)C |&1:0,4,6,9,11,17,42,44,r|