armillasin

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IUPAC Name :[(2R,2aR,7bR)-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
InChI :InChI=1/C22H28O5/c1-12-7-14(23)8-16(24)18(12)19(25)27-17-11-21(4)15-10-20(2,3)9-13(15)5-6-22(17,21)26/h5-8,13,15,17,23-24,26H,9-11H2,1-4H3/t13?,15?,17-,21-,22+/m1/s1
Std.InChI: InChI=1S/C22H28O5/c1-12-7-14(23)8-16(24)18(12)19(25)27-17-11-21(4)15-10-20(2,3)9-13(15)5-6-22(17,21)26/h5-8,13,15,17,23-24,26H,9-11H2,1-4H3/t13?,15?,17-,21-,22+/m1/s1
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InChIKey :AFPPVJHFFGBKOB-WKEZMGNFBF
Std.InChIKey: AFPPVJHFFGBKOB-WKEZMGNFSA-N
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SMILES :CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C=CC4C3CC(C4)(C)C)O)C)O)O
Molar Refractivity :101.02 ± 0.4 cm3 (est)
Parachor :797.7 ± 6.0 cm3 (est)
Index of Refraction :1.625 ± 0.03 (est)
Surface Tension :60.9 ± 5.0 dyne/cm (est)
Density :1.30 ± 0.1 g/cm3 (est)
Polarizability :40.04 ± 0.5 10-24cm3 (est)