cis-solamin

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IUPAC Name :(2S)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
InChI :InChI=1/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31-,32+,33-,34+/m0/s1
Std.InChI: InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31-,32+,33-,34+/m0/s1
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InChIKey :RBSBTRALZZSVBA-DIPXFSDIBL
Std.InChIKey: RBSBTRALZZSVBA-DIPXFSDISA-N
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SMILES :CCCCCCCCCCCC[C@@H]([C@@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC2=C[C@@H](OC2=O)C)O)O
Molar Refractivity :166.01 ± 0.3 cm3 (est)
Parachor :1426.8 ± 6.0 cm3 (est)
Index of Refraction :1.491 ± 0.02 (est)
Surface Tension :38.5 ± 3.0 dyne/cm (est)
Density :0.986 ± 0.06 g/cm3 (est)
Polarizability :65.81 ± 0.5 10-24cm3 (est)