marrubic acid

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IUPAC Name :methyl (1S,4aS,5R,6R,8R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-4a,6-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1-carboxylate
InChI :InChI=1/C20H30O5/c1-13-11-16(21)17-15(18(22)24-3)5-4-8-19(17,2)20(13,23)9-6-14-7-10-25-12-14/h7,10,12-13,15-17,21,23H,4-6,8-9,11H2,1-3H3/t13-,15+,16-,17+,19+,20-/m1/s1
Std.InChI: InChI=1S/C20H30O5/c1-13-11-16(21)17-15(18(22)24-3)5-4-8-19(17,2)20(13,23)9-6-14-7-10-25-12-14/h7,10,12-13,15-17,21,23H,4-6,8-9,11H2,1-3H3/t13-,15+,16-,17+,19+,20-/m1/s1
InChIKey :ARKMUKFGTBTEHL-URHAHMAQBA
Std.InChIKey: ARKMUKFGTBTEHL-URHAHMAQSA-N
SMILES :C[C@@H]1C[C@H]([C@@H]2[C@H](CCC[C@@]2([C@]1(CCc3ccoc3)O)C)C(=O)OC)O
Molar Refractivity :93.63 ± 0.3 cm3 (est)
Parachor :784.9 ± 6.0 cm3 (est)
Index of Refraction :1.527 ± 0.02 (est)
Surface Tension :44.3 ± 3.0 dyne/cm (est)
Density :1.151 ± 0.06 g/cm3 (est)
Polarizability :37.12 ± 0.5 10-24cm3 (est)