carthamus red
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iupac名称 IUPAC Name :(2s (2S,6z）-6-[[（3e 6Z)-6-[[(3E,5r）-2 5R)-2,5-二羟基-3-[（e）-1-羟基-3-（4-羟基苯基）丙-2-烯叉] -4 5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-y
INCHI InChI :INCHI InChI=1/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-48,50-57,62-63H,14-15H2/b11-5+,12-6+,21-13-,26-22-/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42+,43-/m1/s1
印地 Std.InChI: INCHI InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-48,50-57,62-63H,14-15H2/b11-5+,12-6+,21-13-,26-22-/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42+,43-/m1/s1
INCHI基 InChIKey :UZPQVEVQJJKELH-HDOBETQRBD
标准奇奇 Std.InChIKey: UZPQVEVQJJKELH-HDOBETQRSA-N
微笑 SMILES :C1= c =CC(= c =Cc = c C= c =C1/c = c C= c =C/C(= o =O)C2= c =C(/C(= c =C/C3= c =C(/C(= c =C(\c = c C= c =C\C4= c =Cc = c C= c =C(c = c C= c =C4)O)/O)/C(= o =O)[C@@](C3= o =O)([c @ h C@H]5[C@@H]([c @ h C@H]([C@@H]([c @ h C@H](O5)co CO)O)O)O)O)O)/C(= o =O)[C@@](C2= o =O)([c @ h C@H]6[C@@H]([c @ h C@H]([C@@H]([c @ h C@H](O6)co CO)O)O)O)O)O)O
磨牙 Molar 折射率 Refractivity :217.89 ± 0.3 cm3 (估 est)
Parachor :1691.5 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.855 ± 0.02 (估 est)
表面张力 Surface Tension :147.2 ± 3.0 dyne/cm (估 est)
密度 Density :1.875 ± 0.06 g/cm3 (估 est)
极化率 Polarizability :86.37 ± 0.5 10-24cm3 (估 est)