IUPAC Name :[(3S,3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
InChI :InChI=1/C17H20O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,9,12,14-16H,6H2,1-4H3/t9-,12-,14-,15+,16+/m0/s1
Std.InChI: InChI=1S/C17H20O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,9,12,14-16H,6H2,1-4H3/t9-,12-,14-,15+,16+/m0/s1
InChIKey :QONYNSMAVSRIRD-UPQAZBFIBW
Std.InChIKey: QONYNSMAVSRIRD-UPQAZBFISA-N
SMILES :C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C)OC(=O)C
Molar Refractivity :77.48 ± 0.4 cm3 (est)
Parachor :632.5 ± 6.0 cm3 (est)
Index of Refraction :1.545 ± 0.03
(est)
Surface Tension :44.5 ± 5.0 dyne/cm (est)
Density :1.24 ± 0.1 g/cm3 (est)
Polarizability :30.71 ± 0.5 10-24cm3 (est)