紫锥花 echinacin
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iupac名称 IUPAC Name :[（2r [(2R,3s 3S,4s 4S,5r 5R,6s）-3 6S)-3,4,（e）-3-（4-羟基苯基）丙-2-烯酸酯的5-三羟基-6- [5-羟基-2-（4-羟基苯基）-4-氧代色素-7-基]氧代氧烷-2-基]甲基 5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
INCHI InChI :INCHI InChI=1/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1
印地 Std.InChI: INCHI InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1
INCHI基 InChIKey :WPQRDUGBKUNFJW-ZZSHFKPLBX
标准奇奇 Std.InChIKey: WPQRDUGBKUNFJW-ZZSHFKPLSA-N
微笑 SMILES :C1=CC(=Cc = c C=C1/c = c C=C/C(= o =O)OC[C@@H]2[c @ h C@H]([C@@H]([c @ h C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4= o =O)C5=Cc = c C=C(c = c C=C5)O)O)O)O)O)O
磨牙 Molar 折射率 Refractivity :145.89 ± 0.3 cm3 (估 est)
Parachor :1119.2 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.719 ± 0.02
(估 est)
表面张力 Surface Tension :84.2 ± 3.0 dyne/cm (估 est)
密度 Density :1.565 ± 0.06 g/cm3 (估 est)
极化率 Polarizability :57.83 ± 0.5 10-24cm3 (估 est)