obacunone

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InChI :InChI=1/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
Std.InChI: InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
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InChIKey :MAYJEFRPIKEYBL-OASIGRBWBG
Std.InChIKey: MAYJEFRPIKEYBL-OASIGRBWSA-N
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SMILES :C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)OC([C@@H]4CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)(C)C)C
MDL: MFCD00075888
Molar Refractivity :116.33 ± 0.4 cm3 (est)
Parachor :930.3 ± 6.0 cm3 (est)
Index of Refraction :1.591 ± 0.03 (est)
Surface Tension :53.6 ± 5.0 dyne/cm (est)
Density :1.32 ± 0.1 g/cm3 (est)
Polarizability :46.11 ± 0.5 10-24cm3 (est)