4-甲基癸烷-1-醛

80928-52-5

MFCD09752773

C49 H58 O18

934.979

InChI=1S/C49H58O18/c1-22-31(50)11-15-38(60-22)64-34-13-17-40(62-24(34)3)66-48-26(5)59-36(19-33(48)52)28-9-10-30-43(45(28)56)47(58)29-8-7-27(44(55)42(29)46(30)57)20-49(6,21-37(53)54)67-41-18-14-35(25(4)63-41)65-39-16-12-32(51)23(2)61-39/h7-12,15-16,22-26,33-36,38-41,48,52,55-56H,13-14,17-21H2,1-6H3,(H,53,54)/t22-,23-,24+,25-,26+,33+,34+,35-,36+,38-,39-,40+,41-,48+,49+/m0/s1

InChIKey=NIXHEPPGVVKFMQ-JGKBENRTSA-N

C[C@@H]1[C@@H](CC[C@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)c3ccc4c(c3O)C(=O)c5ccc(c(c5C4=O)O)C[C@](C)(CC(=O)O)O[C@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7C=CC(=O)[C@@H](O7)C)C)O[C@H]8C=CC(=O)[C@@H](O8)C

pro_donors:4

pro_acceptors:18

XLogP3:5.0

Bulk/Fine:F