二(壬基苯醇酸)铅

125616-18-4

MFCD01710993

C46 H74 O12

819.079

InChI=1S/C46H74O12/c1-12-33-18-16-14-15-17-26(4)43(53)45(11,55)44(54)32(10)41(52)31(9)40(51)30(8)39(50)25(3)19-22-38(49)56-42-29(7)35(21-20-33)57-46(34(42)13-2)37(48)23-27(5)36(58-46)24-28(6)47/h14-16,18-19,22,25-36,39,41-43,47,50,52-53,55H,12-13,17,20-21,23-24H2,1-11H3/b15-14+,18-16+,22-19+/t25-,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,39+,41+,42+,43-,45+,46+/m1/s1

InChIKey=VVNFPMGPKYNROA-KDGVEAKWSA-N

CC[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)C(=O)C[C@H]([C@H](O3)C[C@H](C)O)C)CC)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@]([C@@H]([C@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C

pro_donors:5

pro_acceptors:12

XLogP3:5.0

Bulk/Fine:F