(+)-calycanthine

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InChI :InChI=1/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
Std.InChI: InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
InChIKey :XSYCDVWYEVUDKQ-JTVPBKEVBZ
Std.InChIKey: XSYCDVWYEVUDKQ-JTVPBKEVSA-N
SMILES :CN1CC[C@@]23[C@@H]4NC5=CC=CC=C5[C@@]2([C@@H]1NC6=CC=CC=C36)CCN4C
Molar Refractivity :104.62 ± 0.4 cm3 (est)
Parachor :754.2 ± 6.0 cm3 (est)
Index of Refraction :1.710 ± 0.03 (est)
Surface Tension :63.2 ± 5.0 dyne/cm (est)
Density :1.29 ± 0.1 g/cm3 (est)
Polarizability :41.47 ± 0.5 10-24cm3 (est)