1-PYRENECARBOXYLIC ACID CHOLESTERYL ESTER

253186-38-8

MFCD00674544

C44H54O2

614.909

InChI=1S/C44H54O2/c1-27(2)8-6-9-28(3)37-20-21-38-36-19-16-32-26-33(22-24-43(32,4)39(36)23-25-44(37,38)5)46-42(45)35-18-15-31-13-12-29-10-7-11-30-14-17-34(35)41(31)40(29)30/h7,10-18,27-28,33,36-39H,6,8-9,19-26H2,1-5H3/t28-,33+,36+,37-,38+,39+,43+,44-/m1/s1

InChIKey=YXRDZOKEPVUJRV-CQKABPTCSA-N

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)C1=CC=C2C=CC3=CC=CC4=C3C2=C1C=C4)[C@H](C)CCCC(C)C

pro_donors:0

pro_acceptors:2

XLogP3:14.14

Bulk/Fine:F