asimilobin

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IUPAC Name :(2S)-4-[(2R)-2-hydroxy-7-[(2S,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
InChI :InChI=1/C35H62O6/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-14-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34,36-37H,3-24,26H2,1-2H3/t27-,29+,30-,31+,32+,33+,34+/m0/s1
Std.InChI: InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-14-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34,36-37H,3-24,26H2,1-2H3/t27-,29+,30-,31+,32+,33+,34+/m0/s1
InChIKey :ICSXGOKNISTZTO-HCGSSXDTBZ
Std.InChIKey: ICSXGOKNISTZTO-HCGSSXDTSA-N
SMILES :CCCCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)CCCCC[C@H](CC3=C[C@@H](OC3=O)C)O)O
Molar Refractivity :165.62 ± 0.3 cm3 (est)
Parachor :1413.6 ± 6.0 cm3 (est)
Index of Refraction :1.500 ± 0.02 (est)
Surface Tension :39.9 ± 3.0 dyne/cm (est)
Density :1.029 ± 0.06 g/cm3 (est)
Polarizability :65.66 ± 0.5 10-24cm3 (est)