β-谷固醇 beta-sitosterol
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iupac名称 IUPAC Name :(3s (3S,8s 8S,9s 9S,10r 10R,13r 13R,14s 14S,17r）-17-[（2r 17R)-17-[(2R,5s）-5-乙基-6-甲基庚基-2-基] -10 5S)-5-ethyl-6-methylheptan-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/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
印地 Std.InChI: INCHI InChI=1S/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
INCHI基 InChIKey :KZJWDPNRJALLNS-FBZNIEFRBU
标准奇奇 Std.InChIKey: KZJWDPNRJALLNS-FBZNIEFRSA-N
微笑 SMILES :cc CC[C@@H](cc CC[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 CC=C4[C@@]3(cc CC[C@@H](C4)O)C)C)C(C)C
MDL : mfcd00003631 MFCD00003631
磨牙 Molar 折射率 Refractivity :129.21 ± 0.4 cm3 (估 est)
Parachor :1051.0 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.521 ± 0.03 (估 est)
表面张力 Surface Tension :37.6 ± 5.0 dyne/cm (估 est)
密度 Density :0.97 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :51.22 ± 0.5 10-24cm3 (估 est)