豆甾醇 stigmasterol
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 :(3s (3S,8s 8S,9s 9S,10r 10R,13r 13R,14s 14S,17r）-17-[（e 17R)-17-[(E,2R,5s）-5-乙基-6-甲基庚-3-烯-2-基] -10 5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
INCHI InChI :INCHI InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
印地 Std.InChI: INCHI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
INCHI基 InChIKey :HCXVJBMSMIARIN-PHZDYDNGBL
标准奇奇 Std.InChIKey: HCXVJBMSMIARIN-PHZDYDNGSA-N
微笑 SMILES :cc CC[c @ h C@H](/c = c C=C/[C@@H](C)[c @ h C@H]1cc CC[C@@H]2[C@@]1(cc CC[c @ h C@H]3[c @ h C@H]2Cc = c C=C4[C@@]3(cc CC[C@@H](C4)O)C)C)C(C)C
MDL : mfcd00003630 MFCD00003630
磨牙 Molar 折射率 Refractivity :129.12 ± 0.4 cm3 (估 est)
Parachor :1038.6 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.530 ± 0.03 (估 est)
表面张力 Surface Tension :38.2 ± 5.0 dyne/cm (估 est)
密度 Density :0.98 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :51.18 ± 0.5 10-24cm3 (估 est)