IUPAC Name :(4S)-3,5,5-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
InChI :InChI=1/C16H26O7/c1-8-4-9(18)5-16(2,3)10(8)7-22-15-14(21)13(20)12(19)11(6-17)23-15/h4,10-15,17,19-21H,5-7H2,1-3H3/t10-,11-,12-,13+,14-,15-/m1/s1
Std.InChI: InChI=1S/C16H26O7/c1-8-4-9(18)5-16(2,3)10(8)7-22-15-14(21)13(20)12(19)11(6-17)23-15/h4,10-15,17,19-21H,5-7H2,1-3H3/t10-,11-,12-,13+,14-,15-/m1/s1
InChIKey :FOONTNRMWNJWCL-PLJUSGQGBL
Std.InChIKey: FOONTNRMWNJWCL-PLJUSGQGSA-N
SMILES :CC1=CC(=O)CC([C@@H]1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C
Molar Refractivity :81.33 ± 0.4 cm3 (est)
Parachor :693.7 ± 6.0 cm3 (est)
Index of Refraction :1.561 ± 0.03
(est)
Surface Tension :58.3 ± 5.0 dyne/cm (est)
Density :1.31 ± 0.1 g/cm3 (est)
Polarizability :32.24 ± 0.5 10-24cm3 (est)