valerenic acid

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
IUPAC Name :(E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
InChI :InChI=1/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
Std.InChI: InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
InChIKey :FEBNTWHYQKGEIQ-SUKRRCERBS
Std.InChIKey: FEBNTWHYQKGEIQ-SUKRRCERSA-N
SMILES :C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C(=O)O
MDL: MFCD00075694
Molar Refractivity :68.13 ± 0.4 cm3 (est)
Parachor :551.9 ± 6.0 cm3 (est)
Index of Refraction :1.528 ± 0.03 (est)
Surface Tension :38.8 ± 5.0 dyne/cm (est)
Density :1.06 ± 0.1 g/cm3 (est)
Polarizability :27.00 ± 0.5 10-24cm3 (est)