nummularine A

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InChI :InChI=1/C36H49N5O6/c1-7-23(4)31-34(43)38-17-15-25-21-26(13-14-29(25)46-6)47-30-16-18-41(32(30)35(44)40-31)36(45)28(19-22(2)3)39-33(42)27(37-5)20-24-11-9-8-10-12-24/h8-15,17,21-23,27-28,30-32,37H,7,16,18-20H2,1-6H3,(H,38,43)(H,39,42)(H,40,44)/b17-15+
Std.InChI: InChI=1S/C36H49N5O6/c1-7-23(4)31-34(43)38-17-15-25-21-26(13-14-29(25)46-6)47-30-16-18-41(32(30)35(44)40-31)36(45)28(19-22(2)3)39-33(42)27(37-5)20-24-11-9-8-10-12-24/h8-15,17,21-23,27-28,30-32,37H,7,16,18-20H2,1-6H3,(H,38,43)(H,39,42)(H,40,44)/b17-15+
InChIKey :BZZQDUJJXJCFBF-BMRADRMJBM
Std.InChIKey: BZZQDUJJXJCFBF-BMRADRMJSA-N
SMILES :CCC(C)C1C(=O)N/C=C/C2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC)OC
Molar Refractivity :179.51 ± 0.5 cm3 (est)
Parachor :1354.2 ± 8.0 cm3 (est)
Index of Refraction :1.602 ± 0.05 (est)
Surface Tension :44.8 ± 7.0 dyne/cm (est)
Density :1.23 ± 0.1 g/cm3 (est)
Polarizability :71.16 ± 0.5 10-24cm3 (est)