IUPAC Name :[(2R,3S,4S,4aS,7R,8R,8aR)-4-formyl-4-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-7,8-dihydroxy-3,8,8a-trimethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalen-2-yl] acetate
InChI :InChI=1/C22H32O7/c1-13-17(29-14(2)24)10-20(3)18(5-6-19(26)21(20,4)27)22(13,12-23)9-16(25)15-7-8-28-11-15/h7-8,11-13,16-19,25-27H,5-6,9-10H2,1-4H3/t13-,16-,17-,18+,19-,20-,21+,22-/m1/s1
Std.InChI: InChI=1S/C22H32O7/c1-13-17(29-14(2)24)10-20(3)18(5-6-19(26)21(20,4)27)22(13,12-23)9-16(25)15-7-8-28-11-15/h7-8,11-13,16-19,25-27H,5-6,9-10H2,1-4H3/t13-,16-,17-,18+,19-,20-,21+,22-/m1/s1
InChIKey :ZOWKQQIGQBVKSV-BZLLESMPBX
Std.InChIKey: ZOWKQQIGQBVKSV-BZLLESMPSA-N
SMILES :C[C@@H]1[C@@H](C[C@@]2([C@@H]([C@]1(C[C@H](C3=COC=C3)O)C=O)CC[C@H]([C@]2(C)O)O)C)OC(=O)C
Molar Refractivity :105.21 ± 0.4 cm3 (est)
Parachor :885.2 ± 6.0 cm3 (est)
Index of Refraction :1.560 ± 0.03
(est)
Surface Tension :54.8 ± 5.0 dyne/cm (est)
Density :1.25 ± 0.1 g/cm3 (est)
Polarizability :41.71 ± 0.5 10-24cm3 (est)