IUPAC Name :[(3S,3aR,4S,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
InChI :InChI=1/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3/t9-,12-,13+,14-,15-,17+/m0/s1
Std.InChI: InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3/t9-,12-,13+,14-,15-,17+/m0/s1
InChIKey :SYTRJRUSWMMZLV-VQGWEXQJBA
Std.InChIKey: SYTRJRUSWMMZLV-VQGWEXQJSA-N
SMILES :C[C@H]1[C@@H]2[C@H](CC(=C3C=C[C@@]([C@@H]3[C@H]2OC1=O)(C)O)C)OC(=O)C
MDL: MFCD08460273
Molar Refractivity :79.14 ± 0.4 cm3 (est)
Parachor :644.3 ± 6.0 cm3 (est)
Index of Refraction :1.557 ± 0.03
(est)
Surface Tension :47.2 ± 5.0 dyne/cm (est)
Density :1.24 ± 0.1 g/cm3 (est)
Polarizability :31.37 ± 0.5 10-24cm3 (est)