IUPAC Name :[(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-3-methylsulfanylprop-2-enoate
InChI :InChI=1/C21H28O6S/c1-12-6-7-15(27-16(23)8-9-28-5)17-18(26-14(3)22)21(11-20(12,17)4)13(2)10-25-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8-/t12-,15-,17+,18+,20+,21+/m0/s1
Std.InChI: InChI=1S/C21H28O6S/c1-12-6-7-15(27-16(23)8-9-28-5)17-18(26-14(3)22)21(11-20(12,17)4)13(2)10-25-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8-/t12-,15-,17+,18+,20+,21+/m0/s1
InChIKey :LWHLMCCRIWZBQO-PDSBHGERBV
Std.InChIKey: LWHLMCCRIWZBQO-PDSBHGERSA-N
SMILES :C[C@H]1CC[C@@H]([C@H]2[C@@]1(C[C@]3([C@@H]2OC(=O)C)C(=C)COC3=O)C)OC(=O)/C=C\SC
Molar Refractivity :106.12 ± 0.4 cm3 (est)
Parachor :869.1 ± 6.0 cm3 (est)
Index of Refraction :1.552 ± 0.03
(est)
Surface Tension :47.0 ± 5.0 dyne/cm (est)
Density :1.23 ± 0.1 g/cm3 (est)
Polarizability :42.06 ± 0.5 10-24cm3 (est)