benzyl ursolate
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INCHI InChI :INCHI InChI=1/C37H54O3/c1-24-15-20-37(32(39)40-23-26-11-9-8-10-12-26)22-21-35(6)27(31(37)25(24)2)13-14-29-34(5)18-17-30(38)33(3,4)28(34)16-19-36(29,35)7/h8-13,24-25,28-31,38H,14-23H2,1-7H3/t24-,25+,28+,29-,30+,31+,34+,35-,36-,37+/m1/s1
印地 Std.InChI: INCHI InChI=1S/C37H54O3/c1-24-15-20-37(32(39)40-23-26-11-9-8-10-12-26)22-21-35(6)27(31(37)25(24)2)13-14-29-34(5)18-17-30(38)33(3,4)28(34)16-19-36(29,35)7/h8-13,24-25,28-31,38H,14-23H2,1-7H3/t24-,25+,28+,29-,30+,31+,34+,35-,36-,37+/m1/s1
INCHI基 InChIKey :FUFAPKOCRZYSHH-CVTBAMPXBI
标准奇奇 Std.InChIKey: FUFAPKOCRZYSHH-CVTBAMPXSA-N
微笑 SMILES :C[C@@H]1cc CC[C@@]2(cc CC[C@@]3(C(= cc =cc CC[c @ h C@H]4[C@]3(cc CC[C@@H]5[C@@]4(cc CC[C@@H](C5(C)C)O)C)C)[C@@H]2[c @ h C@H]1C)C)C(= o =O)Occ CC6= cc =cc CC= cc =cc CC=C6
磨牙 Molar 折射率 Refractivity :163.07 ± 0.4 cm3 (估 est)
Parachor :1293.9 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.567 ± 0.03
(估 est)
表面张力 Surface Tension :45.2 ± 5.0 dyne/cm (估 est)
密度 Density :1.09 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :64.64 ± 0.5 10-24cm3 (估 est)