demissidine

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InChI :InChI=1/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
Std.InChI: InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
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InChIKey :JALVTHFTYRPDMB-HRRTYWNUBC
Std.InChIKey: JALVTHFTYRPDMB-HRRTYWNUSA-N
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SMILES :C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)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
MDL: MFCD00200961
Molar Refractivity :120.02 ± 0.4 cm3 (est)
Parachor :950.2 ± 6.0 cm3 (est)
Index of Refraction :1.564 ± 0.03 (est)
Surface Tension :44.0 ± 5.0 dyne/cm (est)
Density :1.08 ± 0.1 g/cm3 (est)
Polarizability :47.58 ± 0.5 10-24cm3 (est)