calycanthidine

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IUPAC Name : (3aS,8bR)-8b-[(3aS,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
InChI :InChI=1/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3/t20-,21-,22-,23-/m0/s1
Std.InChI: InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3/t20-,21-,22-,23-/m0/s1
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InChIKey :GSQUXSFTXJRLQJ-MLCQCVOFBH
Std.InChIKey: GSQUXSFTXJRLQJ-MLCQCVOFSA-N
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SMILES :CN1CC[C@]2([C@H]1NC3=CC=CC=C32)[C@]45CCN([C@H]4N(C6=CC=CC=C56)C)C
Molar Refractivity :108.19 ± 0.3 cm3 (est)
Parachor :792.4 ± 6.0 cm3 (est)
Index of Refraction :1.646 ± 0.02 (est)
Surface Tension :50.0 ± 3.0 dyne/cm (est)
Density :1.210 ± 0.06 g/cm3 (est)
Polarizability :42.89 ± 0.5 10-24cm3 (est)