armillaripin

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IUPAC Name :[(2R,2aR,4aR,7aR,7bS)-3-formyl-4a-hydroxy-6,6,7b-trimethyl-1,2,2a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
InChI :InChI=1/C24H30O6/c1-13-6-15(29-5)7-16(26)19(13)21(27)30-17-9-23(4)18-10-22(2,3)12-24(18,28)8-14(11-25)20(17)23/h6-8,11,17-18,20,26,28H,9-10,12H2,1-5H3/t17-,18-,20-,23-,24+/m1/s1
Std.InChI: InChI=1S/C24H30O6/c1-13-6-15(29-5)7-16(26)19(13)21(27)30-17-9-23(4)18-10-22(2,3)12-24(18,28)8-14(11-25)20(17)23/h6-8,11,17-18,20,26,28H,9-10,12H2,1-5H3/t17-,18-,20-,23-,24+/m1/s1
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InChIKey :BGKXQRPQNIXIMH-MEVKZITKBW
Std.InChIKey: BGKXQRPQNIXIMH-MEVKZITKSA-N
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SMILES :CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@H]2C(=C[C@]4([C@@H]3CC(C4)(C)C)O)C=O)C)O)OC
Molar Refractivity :110.60 ± 0.4 cm3 (est)
Parachor :886.4 ± 6.0 cm3 (est)
Index of Refraction :1.599 ± 0.03 (est)
Surface Tension :56.4 ± 5.0 dyne/cm (est)
Density :1.28 ± 0.1 g/cm3 (est)
Polarizability :43.84 ± 0.5 10-24cm3 (est)