ailanthone

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InChI :InChI=1/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1
Std.InChI: InChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1
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InChIKey :WBBVXGHSWZIJST-RLQYZCPEBG
Std.InChIKey: WBBVXGHSWZIJST-RLQYZCPESA-N
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SMILES :CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@H]4CC(=O)O3)O)(OC5)O)C)O
Molar Refractivity :91.87 ± 0.4 cm3 (est)
Parachor :731.7 ± 6.0 cm3 (est)
Index of Refraction :1.640 ± 0.03 (est)
Surface Tension :67.9 ± 5.0 dyne/cm (est)
Density :1.47 ± 0.1 g/cm3 (est)
Polarizability :36.42 ± 0.5 10-24cm3 (est)