armillarinin

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IUPAC Name :[(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
InChI :InChI=1/C24H29ClO7/c1-12-18(14(27)6-15(31-5)19(12)25)20(28)32-17-9-22(4)16-8-21(2,3)11-23(16,29)7-13(10-26)24(17,22)30/h6-7,10,16-17,27,29-30H,8-9,11H2,1-5H3/t16-,17-,22-,23+,24+/m1/s1
Std.InChI: InChI=1S/C24H29ClO7/c1-12-18(14(27)6-15(31-5)19(12)25)20(28)32-17-9-22(4)16-8-21(2,3)11-23(16,29)7-13(10-26)24(17,22)30/h6-7,10,16-17,27,29-30H,8-9,11H2,1-5H3/t16-,17-,22-,23+,24+/m1/s1
InChIKey :XOGUZUVXPLTDMB-FUVFEPFRBB
Std.InChIKey: XOGUZUVXPLTDMB-FUVFEPFRSA-N
SMILES :CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3CC(C4)(C)C)O)C=O)O)C
Molar Refractivity :117.00 ± 0.4 cm3 (est)
Parachor :938.8 ± 6.0 cm3 (est)
Index of Refraction :1.624 ± 0.03 (est)
Surface Tension :64.5 ± 5.0 dyne/cm (est)
Density :1.40 ± 0.1 g/cm3 (est)
Polarizability :46.38 ± 0.5 10-24cm3 (est)