demethylsimmondsin

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IUPAC Name :(2E)-2-[2,4-dihydroxy-3-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile
InChI :InChI=1/C15H23NO9/c1-23-14-7(18)4-8(6(2-3-16)10(14)19)24-15-13(22)12(21)11(20)9(5-17)25-15/h2,7-15,17-22H,4-5H2,1H3/b6-2-
Std.InChI: InChI=1S/C15H23NO9/c1-23-14-7(18)4-8(6(2-3-16)10(14)19)24-15-13(22)12(21)11(20)9(5-17)25-15/h2,7-15,17-22H,4-5H2,1H3/b6-2-
InChIKey :SDYUFOBSNZFKRM-KXFIGUGUBN
Std.InChIKey: SDYUFOBSNZFKRM-KXFIGUGUSA-N
SMILES :COC1C(CC(/C(=C/C#N)/C1O)OC2C(C(C(C(O2)CO)O)O)O)O
Molar Refractivity :81.27 ± 0.4 cm3 (est)
Parachor :709.8 ± 6.0 cm3 (est)
Index of Refraction :1.612 ± 0.03 (est)
Surface Tension :85.0 ± 5.0 dyne/cm (est)
Density :1.54 ± 0.1 g/cm3 (est)
Polarizability :32.21 ± 0.5 10-24cm3 (est)