kolavenic acid

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
IUPAC Name :(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
InChI :InChI=1/C20H32O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h7,13,16-17H,6,8-12H2,1-5H3,(H,21,22)/b14-13+/t16-,17-,19+,20+/m1/s1
Std.InChI: InChI=1S/C20H32O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h7,13,16-17H,6,8-12H2,1-5H3,(H,21,22)/b14-13+/t16-,17-,19+,20+/m1/s1
InChIKey :NLVMTSRTOGOFQD-MWRQYBNOBH
Std.InChIKey: NLVMTSRTOGOFQD-MWRQYBNOSA-N
SMILES :O=C(O)\C=C(/C)CC[C@@]2([C@@H]1[C@](/C(=C\CC1)C)(CC[C@H]2C)C)C
Molar Refractivity :91.73 ± 0.3 cm3 (est)
Parachor :750.6 ± 6.0 cm3 (est)
Index of Refraction :1.495 ± 0.02 (est)
Surface Tension :32.4 ± 3.0 dyne/cm (est)
Density :0.968 ± 0.06 g/cm3 (est)
Polarizability :36.36 ± 0.5 10-24cm3 (est)