panduratin A
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iupac名称 IUPAC Name :(2,6-二羟基-4-甲氧基苯基）-[（1r 6-dihydroxy-4-methoxyphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
INCHI InChI :INCHI InChI=1/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
印地 Std.InChI: INCHI InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
INCHI基 InChIKey :LYDZCXVWCFJAKQ-ZFGGDYGUBG
标准奇奇 Std.InChIKey: LYDZCXVWCFJAKQ-ZFGGDYGUSA-N
微笑 SMILES :CC1=CC[c @ h C@H]([C@@H]([C@@H]1Cc = c C=C(C)C)C(= o =O)C2=C(c = c C=C(c = c C=C2O)OC)O)C3=Cc = c C=Cc = c C=C3
磨牙 Molar 折射率 Refractivity :119.63 ± 0.3 cm3 (估 est)
Parachor :924.7 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.578 ± 0.02
(估 est)
表面张力 Surface Tension :43.3 ± 3.0 dyne/cm (估 est)
密度 Density :1.128 ± 0.06 g/cm3 (估 est)
极化率 Polarizability :47.42 ± 0.5 10-24cm3 (估 est)