setariol

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InChI :InChI=1/C27H42O3/c1-18(16-28)5-4-6-19(2)22-10-12-27(30)23-8-7-20-15-21(29)9-11-25(20)17-26(23,25)14-13-24(22,27)3/h8,18,20-22,28-30H,2,4-7,9-17H2,1,3H3/t18?,20-,21+,22+,24+,25+,26-,27+/m0/s1
Std.InChI: InChI=1S/C27H42O3/c1-18(16-28)5-4-6-19(2)22-10-12-27(30)23-8-7-20-15-21(29)9-11-25(20)17-26(23,25)14-13-24(22,27)3/h8,18,20-22,28-30H,2,4-7,9-17H2,1,3H3/t18?,20-,21+,22+,24+,25+,26-,27+/m0/s1
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InChIKey :LHQZNTIWWWUEJH-CYXACVBLBV
Std.InChIKey: LHQZNTIWWWUEJH-CYXACVBLSA-N
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SMILES :CC(CCCC(=C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34C2=CC[C@@H]5[C@]3(C4)CC[C@H](C5)O)C)O)CO
Molar Refractivity :120.63 ± 0.4 cm3 (est)
Parachor :961.5 ± 6.0 cm3 (est)
Index of Refraction :1.582 ± 0.03 (est)
Surface Tension :50.1 ± 5.0 dyne/cm (est)
Density :1.14 ± 0.1 g/cm3 (est)
Polarizability :47.82 ± 0.5 10-24cm3 (est)