IUPAC Name :(2R,2aS,4aS,7aS,7bR)-2-(2,4-dihydroxy-6-methylbenzoyl)oxy-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]indene-3-carboxylic acid
InChI :InChI=1/C23H28O7/c1-11-5-13(24)7-16(25)18(11)20(28)30-17-10-22(4)15-9-21(2,3)8-12(15)6-14(19(26)27)23(17,22)29/h5-7,12,15,17,24-25,29H,8-10H2,1-4H3,(H,26,27)/t12-,15+,17-,22-,23+/m1/s1
Std.InChI: InChI=1S/C23H28O7/c1-11-5-13(24)7-16(25)18(11)20(28)30-17-10-22(4)15-9-21(2,3)8-12(15)6-14(19(26)27)23(17,22)29/h5-7,12,15,17,24-25,29H,8-10H2,1-4H3,(H,26,27)/t12-,15+,17-,22-,23+/m1/s1
InChIKey :AOCKXACXCVTXBB-NJHYUGCKBG
Std.InChIKey: AOCKXACXCVTXBB-NJHYUGCKSA-N
SMILES :CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C(=O)O)O)C)O)O
Molar Refractivity :107.07 ± 0.4 cm3 (est)
Parachor :856.3 ± 6.0 cm3 (est)
Index of Refraction :1.644 ± 0.03
(est)
Surface Tension :70.3 ± 5.0 dyne/cm (est)
Density :1.40 ± 0.1 g/cm3 (est)
Polarizability :42.44 ± 0.5 10-24cm3 (est)