bakkenolide E

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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] (E)-2-methylbut-2-enoate
InChI :InChI=1/C22H30O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h7,13,16-18H,4,8-11H2,1-3,5-6H3/b12-7+/t13-,16-,17+,18+,21+,22+/m0/s1
Std.InChI: InChI=1S/C22H30O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h7,13,16-18H,4,8-11H2,1-3,5-6H3/b12-7+/t13-,16-,17+,18+,21+,22+/m0/s1
InChIKey :AVAGQVZSHJYDED-NWAIQIOLBL
Std.InChIKey: AVAGQVZSHJYDED-NWAIQIOLSA-N
SMILES :C/C=C(\C)/C(=O)O[C@H]1CC[C@@H]([C@@]2([C@H]1[C@H]([C@@]3(C2)C(=C)COC3=O)OC(=O)C)C)C
Molar Refractivity :102.50 ± 0.4 cm3 (est)
Parachor :853.0 ± 6.0 cm3 (est)
Index of Refraction :1.525 ± 0.03 (est)
Surface Tension :42.5 ± 5.0 dyne/cm (est)
Density :1.16 ± 0.1 g/cm3 (est)
Polarizability :40.63 ± 0.5 10-24cm3 (est)