胆固醇异硬脂酸酯 cholesteryl isostearate
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iupac名称 IUPAC Name :[（3秒 [(3S,8s 8S,9s 9S,10r 10R,13r 13R,14s 14S,17r）-10 17R)-10,13-二甲基-17-[（2r）-6-甲基庚-2-基] -2 13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 16-methylheptadecanoate
INCHI InChI :INCHI InChI=1/C45H80O2/c1-34(2)21-18-16-14-12-10-8-9-11-13-15-17-19-24-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(36(5)23-20-22-35(3)4)45(41,7)32-30-42(39)44/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
印地 Std.InChI: INCHI InChI=1S/C45H80O2/c1-34(2)21-18-16-14-12-10-8-9-11-13-15-17-19-24-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(36(5)23-20-22-35(3)4)45(41,7)32-30-42(39)44/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
INCHI基 InChIKey :JBBRZDLNVILTDL-XNTGVSEIBX
标准奇奇 Std.InChIKey: JBBRZDLNVILTDL-XNTGVSEISA-N
微笑 SMILES :C[c @ h C@H](cccc cc CCcc CC(C)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)OC(= o =O)ccccccccccccccccc cccc cc CCcc CCcccc cc CCcc CCcccc cc CCcc CCcc CCC(C)C)C)C
磨牙 Molar 折射率 Refractivity :203.63 ± 0.4 cm3 (估 est)
Parachor :1700.7 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.504 ± 0.03
(估 est)
表面张力 Surface Tension :37.5 ± 5.0 dyne/cm (估 est)
密度 Density :0.95 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :80.72 ± 0.5 10-24cm3 (估 est)