tomatidine

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InChI :InChI=1/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
Std.InChI: InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
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InChIKey :XYNPYHXGMWJBLV-VXPJTDKGBR
Std.InChIKey: XYNPYHXGMWJBLV-VXPJTDKGSA-N
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SMILES :C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1
Molar Refractivity :121.56 ± 0.4 cm3 (est)
Parachor :970.8 ± 6.0 cm3 (est)
Index of Refraction :1.560 ± 0.03 (est)
Surface Tension :44.5 ± 5.0 dyne/cm (est)
Density :1.10 ± 0.1 g/cm3 (est)
Polarizability :48.19 ± 0.5 10-24cm3 (est)