IUPAC Name :(1S,2R,2'R,4aS,5R,5'S,6R,8R,8aR)-1-(carboxymethyl)-4a,8a-diformyl-5'-(furan-3-yl)-2,2',8-trihydroxy-6-(hydroxymethyl)spiro[2,3,4,6,7,8-hexahydronaphthalene-5,3'-oxolane]-1-carboxylic acid
InChI :InChI=1/C23H28O12/c24-8-13-5-16(28)23(11-26)20(10-25,3-1-15(27)22(23,18(31)32)7-17(29)30)21(13)6-14(35-19(21)33)12-2-4-34-9-12/h2,4,9-11,13-16,19,24,27-28,33H,1,3,5-8H2,(H,29,30)(H,31,32)/t13-,14-,15+,16+,19+,20-,21-,22-,23-/m0/s1
Std.InChI: InChI=1S/C23H28O12/c24-8-13-5-16(28)23(11-26)20(10-25,3-1-15(27)22(23,18(31)32)7-17(29)30)21(13)6-14(35-19(21)33)12-2-4-34-9-12/h2,4,9-11,13-16,19,24,27-28,33H,1,3,5-8H2,(H,29,30)(H,31,32)/t13-,14-,15+,16+,19+,20-,21-,22-,23-/m0/s1
InChIKey :OCCSGWHBAQZQOW-ZUKDTQBBBW
Std.InChIKey: OCCSGWHBAQZQOW-ZUKDTQBBSA-N
SMILES :C1C[C@@]2([C@@]3(C[C@H](O[C@H]3O)C4=COC=C4)[C@@H](C[C@H]([C@@]2([C@]([C@@H]1O)(CC(=O)O)C(=O)O)C=O)O)CO)C=O
Molar Refractivity :112.88 ± 0.4 cm3 (est)
Parachor :957.2 ± 6.0 cm3 (est)
Index of Refraction :1.652 ± 0.03
(est)
Surface Tension :92.5 ± 5.0 dyne/cm (est)
Density :1.60 ± 0.1 g/cm3 (est)
Polarizability :44.75 ± 0.5 10-24cm3 (est)