isoannoreticuin

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IUPAC Name :5-[5,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
InChI :InChI=1/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
Std.InChI: InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
InChIKey :FGLYVGRJXTUDRE-UHFFFAOYAK
Std.InChIKey: FGLYVGRJXTUDRE-UHFFFAOYSA-N
SMILES :CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCC(CCCCC2CC(C(=O)O2)CC(=O)C)O)O)O
Molar Refractivity :167.92 ± 0.3 cm3 (est)
Parachor :1461.1 ± 6.0 cm3 (est)
Index of Refraction :1.493 ± 0.02 (est)
Surface Tension :40.9 ± 3.0 dyne/cm (est)
Density :1.033 ± 0.06 g/cm3 (est)
Polarizability :66.56 ± 0.5 10-24cm3 (est)