valerenic acid
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iupac名称 IUPAC Name :（e）-3-[（4s (E)-3-[(4S,7r 7R,7ar）-3 7aR)-3,7-二甲基-2 7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
INCHI InChI :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 1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
印地 Std.InChI: 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 1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
INCHI基 InChIKey :FEBNTWHYQKGEIQ-SUKRRCERBS
标准奇奇 Std.InChIKey: FEBNTWHYQKGEIQ-SUKRRCERSA-N
微笑 SMILES :C[C@@H]1cc CC[c @ h C@H](C2=C(cc CC[c @ h C@H]12)C)/c = c C=C(\C)/C(= o =O)O
MDL : mfcd00075694 MFCD00075694
磨牙 Molar 折射率 Refractivity :68.13 ± 0.4 cm3 (估 est)
Parachor :551.9 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.528 ± 0.03 (估 est)
表面张力 Surface Tension :38.8 ± 5.0 dyne/cm (估 est)
密度 Density :1.06 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :27.00 ± 0.5 10-24cm3 (估 est)