18-β-甘草次酸 18-beta-glycyrrhetinic acid
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iupac名称 IUPAC Name :(2s (2S,4as 4aS,6ar 6aR,6as 6aS,6br 6bR,8ar 8aR,10s 10S,12岁 12aS,14br）-10-hydroxy-2 14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
INCHI InChI :INCHI InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
印地 Std.InChI: INCHI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
INCHI基 InChIKey :MPDGHEJMBKOTSU-YKLVYJNSBE
标准奇奇 Std.InChIKey: MPDGHEJMBKOTSU-YKLVYJNSSA-N
微笑 SMILES :o = c O=C(O)[C@]5(C)C[c @ h C@H]4/C3=C/C(= o =O)[c @ h C@H]1[C@](cc CC[C@@H]2[C@]1(C)cc CC[c @ h C@H](O)C2(C)C)(C)[C@]3(C)cc CC[C@@]4(C)cc CC5
MDL : mfcd00003706 MFCD00003706
磨牙 Molar 折射率 Refractivity :133.69 ± 0.4 cm3 (估 est)
Parachor :1082.2 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.562 ± 0.03 (估 est)
表面张力 Surface Tension :47.7 ± 5.0 dyne/cm (估 est)
密度 Density :1.14 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :52.99 ± 0.5 10-24cm3 (估 est)