虾青素 astaxanthin
右键点击后面的免费Jmol Molecule链接获取更多信息 Right Click Free Jmol Molecule For More Options. 戳 Click 这里 Here.
iupac名称 IUPAC Name :6-羟基-3-[（1e 6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-
INCHI InChI :INCHI InChI=1/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
印地 Std.InChI: INCHI InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
INCHI基 InChIKey :MQZIGYBFDRPAKN-QISQUURKBE
标准奇奇 Std.InChIKey: MQZIGYBFDRPAKN-QISQUURKSA-N
微笑 SMILES :cc CC1= c =C(C(cc CC(C1= o =O)O)(C)C)/c = c C= c =C/C(= c =C/c = c C= c =C/C(= c =C/c = c C= c =C/c = c C= c =C(/c = c C= c =C/c = c C= c =C(/c = c C= c =C/C2= c =C(C(= o =O)C(cc CC2(C)C)O)C)\C)\C)/C)/C
MDL : mfcd00672621 MFCD00672621
磨牙 Molar 折射率 Refractivity :189.37 ± 0.3 cm3 (估 est)
Parachor :1440.2 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.595 ± 0.02 (估 est)
表面张力 Surface Tension :44.6 ± 3.0 dyne/cm (估 est)
密度 Density :1.071 ± 0.06 g/cm3 (估 est)
极化率 Polarizability :75.07 ± 0.5 10-24cm3 (估 est)