IUPAC Name :(6S)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-1,7-dien-3-one
InChI :InChI=1/C16H26O7/c1-5-16(4,7-6-10(18)9(2)3)23-15-14(21)13(20)12(19)11(8-17)22-15/h5,11-15,17,19-21H,1-2,6-8H2,3-4H3/t11-,12-,13+,14-,15+,16-/m1/s1
Std.InChI: InChI=1S/C16H26O7/c1-5-16(4,7-6-10(18)9(2)3)23-15-14(21)13(20)12(19)11(8-17)22-15/h5,11-15,17,19-21H,1-2,6-8H2,3-4H3/t11-,12-,13+,14-,15+,16-/m1/s1
InChIKey :NERFSSPHKJBXKV-VJQRDGCPBW
Std.InChIKey: NERFSSPHKJBXKV-VJQRDGCPSA-N
SMILES :CC(=C)C(=O)CC[C@@](C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Molar Refractivity :83.03 ± 0.4 cm3 (est)
Parachor :715.9 ± 6.0 cm3 (est)
Index of Refraction :1.535 ± 0.03
(est)
Surface Tension :52.1 ± 5.0 dyne/cm (est)
Density :1.23 ± 0.1 g/cm3 (est)
Polarizability :32.91 ± 0.5 10-24cm3 (est)