牛蒡皂苷元 arctigenin
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iupac名称 IUPAC Name :(3r (3R,4r）-4-[（3 4R)-4-[(3,4-二甲氧基苯基）甲基] -3-[（4-羟基-3-甲氧基苯基）甲基]氧杂-2--2- 4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
INCHI InChI :INCHI InChI=1/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
印地 Std.InChI: INCHI InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
INCHI基 InChIKey :NQWVSMVXKMHKTF-JKSUJKDBBB
标准奇奇 Std.InChIKey: NQWVSMVXKMHKTF-JKSUJKDBSA-N
微笑 SMILES :COC1= c =C(c = c C= c =C(c = c C= c =C1)C[c @ h C@H]2COC(= o =O)[C@@H]2CC3= c =CC(= c =C(c = c C= c =C3)O)OC)OC
MDL : mfcd00870597 MFCD00870597
磨牙 Molar 折射率 Refractivity :100.43 ± 0.3 cm3 (估 est)
Parachor :800.8 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.576 ± 0.02
(估 est)
表面张力 Surface Tension :48.6 ± 3.0 dyne/cm (估 est)
密度 Density :1.227 ± 0.06 g/cm3 (估 est)
极化率 Polarizability :39.81 ± 0.5 10-24cm3 (估 est)