XIV(L) as per Figure S42 - Charles ROMAIN (Imperial College London, 2018)
Gaussian Calculation
Keywords: InChI=1S/C33H54N2O2.C13H19O9.Al/c1-29(2,3)21-15-23(31(7,8)9)27(36)25(17-21)34-19-33(13,14)20-35-26-18-22(30(4,5)6)16-24(28(26)37)32(10,11)12;1-6(14)10(15)20-8(3)12(17)22-9(4)13(18)21-7(2)11(16)19-5;/h15-18,34-37H,19-20H2,1-14H3;6-9H,1-5H3;/q;-2;+4/p-2/t;6-,7-,8-,9-;/m.0./s1; InChI=1S/C33H54N2O2.C13H19O9.Al/c1-29(2,3)21-15-23(31(7,8)9)27(36)25(17-21)34-19-33(13,14)20-35-26-18-22(30(4,5)6)16-24(28(26)37)32(10,11)12;1-6(14)10(15)20-8(3)12(17)22-9(4)13(18)21-7(2)11(16)19-5;/h15-18,34-37H,19-20H2,1-14H3;6-9H,1-5H3;/q;-1;+3/p-2/t;6-,7-,8-,9-;/m.0./s1; UXWIUYJMHDJTDF-DIZLTESHSA-L; NTJLGLFDTRPIFD-DIZLTESHSA-L