nummularine B

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InChI :InChI=1/C32H41N5O6/c1-19(2)27(36-29(38)20(3)33-4)32(41)37-16-14-26-28(37)31(40)35-24(17-21-9-7-6-8-10-21)30(39)34-15-13-22-18-23(43-26)11-12-25(22)42-5/h6-13,15,18-20,24,26-28,33H,14,16-17H2,1-5H3,(H,34,39)(H,35,40)(H,36,38)/b15-13+
Std.InChI: InChI=1S/C32H41N5O6/c1-19(2)27(36-29(38)20(3)33-4)32(41)37-16-14-26-28(37)31(40)35-24(17-21-9-7-6-8-10-21)30(39)34-15-13-22-18-23(43-26)11-12-25(22)42-5/h6-13,15,18-20,24,26-28,33H,14,16-17H2,1-5H3,(H,34,39)(H,35,40)(H,36,38)/b15-13+
InChIKey :ZAVCUVYFGQXSRX-FYWRMAATBQ
Std.InChIKey: ZAVCUVYFGQXSRX-FYWRMAATSA-N
SMILES :CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)N/C=C/C3=C(C=CC(=C3)O2)OC)CC4=CC=CC=C4)NC(=O)C(C)NC
Molar Refractivity :161.26 ± 0.5 cm3 (est)
Parachor :1207.2 ± 8.0 cm3 (est)
Index of Refraction :1.618 ± 0.05 (est)
Surface Tension :47.4 ± 7.0 dyne/cm (est)
Density :1.28 ± 0.1 g/cm3 (est)
Polarizability :63.93 ± 0.5 10-24cm3 (est)