IUPAC Name :(1S,7R,7aS)-1-(1-carboxypropan-2-yl)-5-[[(4S)-2,2-dimethyl-3-oxo-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-7-hydroxy-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid
InChI :InChI=1/C25H34O7/c1-13(10-18(27)28)23(4)8-6-15-19(20(29)30)14(11-16(26)24(15,23)5)12-25-9-7-17(32-25)22(2,3)21(25)31/h6,13,16-17,26H,7-12H2,1-5H3,(H,27,28)(H,29,30)/t13?,16-,17?,23+,24+,25+/m1/s1
Std.InChI: InChI=1S/C25H34O7/c1-13(10-18(27)28)23(4)8-6-15-19(20(29)30)14(11-16(26)24(15,23)5)12-25-9-7-17(32-25)22(2,3)21(25)31/h6,13,16-17,26H,7-12H2,1-5H3,(H,27,28)(H,29,30)/t13?,16-,17?,23+,24+,25+/m1/s1
InChIKey :XOLYVYHBERHQBZ-TUNLBVIHBT
Std.InChIKey: XOLYVYHBERHQBZ-TUNLBVIHSA-N
SMILES :CC(CC(=O)O)[C@@]1(CC=C2[C@]1([C@@H](CC(=C2C(=O)O)C[C@]34CCC(O3)C(C4=O)(C)C)O)C)C
Molar Refractivity :115.43 ± 0.4 cm3 (est)
Parachor :943.5 ± 6.0 cm3 (est)
Index of Refraction :1.590 ± 0.03
(est)
Surface Tension :58.1 ± 5.0 dyne/cm (est)
Density :1.30 ± 0.1 g/cm3 (est)
Polarizability :45.76 ± 0.5 10-24cm3 (est)