熊二醇 ursodiol
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iupac名称 IUPAC Name :（4r）-4-[（3r (4R)-4-[(3R,5s 5S,7s 7S,8r 8R,9s 9S,10s 10S,13r 13R,14s 14S,17r）-3 17R)-3,7-二羟基-10 7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
INCHI InChI :INCHI InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3h3 1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
印地 Std.InChI: INCHI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3h3 1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
INCHI基 InChIKey :RUDATBOHQWOJDD-UZVSRGJWBC
标准奇奇 Std.InChIKey: RUDATBOHQWOJDD-UZVSRGJWSA-N
微笑 SMILES :C[c @ h C@H](抄送 cc CCC(= o =O)O)[c @ h C@H]1cc CC[C@@H]2[C@@]1(cc CC[c @ h C@H]3[c @ h C@H]2[c @ h C@H](C[c @ h C@H]4[C@@]3(cc CC[c @ h C@H](C4)O)C)O)C
MDL : mfcd00003680 MFCD00003680
磨牙 Molar 折射率 Refractivity :109.65 ± 0.3 cm3 (估 est)
Parachor :905.9 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.543 ± 0.02
(估 est)
表面张力 Surface Tension :46.0 ± 3.0 dyne/cm (估 est)
密度 Density :1.128 ± 0.06 g/cm3 (估 est)
极化率 Polarizability :43.46 ± 0.5 10-24cm3 (估 est)