IUPAC Name :methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
InChI :InChI=1/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10-,11+,12-,13-,14+,15-,17+,18+,19+/m1/s1
Std.InChI: InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10-,11+,12-,13-,14+,15-,17+,18+,19+/m1/s1
InChIKey :ARFRZOLTIRQFCI-NGQYDJQZBC
Std.InChIKey: ARFRZOLTIRQFCI-NGQYDJQZSA-N
SMILES :CC(=O)O[C@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C
Molar Refractivity :99.99 ± 0.4 cm3 (est)
Parachor :861.5 ± 6.0 cm3 (est)
Index of Refraction :1.593 ± 0.03
(est)
Surface Tension :72.9 ± 5.0 dyne/cm (est)
Density :1.52 ± 0.1 g/cm3 (est)
Polarizability :39.64 ± 0.5 10-24cm3 (est)