松香酸酐 abietic anhydride
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iupac名称 IUPAC Name :(2R,3s 3S,4s 4S,5r 5R,6r）-2-（羟甲基）-6-[[（e）-3-苯基丙-2-烯氧基]恶烷-3 6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
INCHI InChI :INCHI InChI=1/C40H58O3/c1-25(2)27-11-15-31-29(23-27)13-17-33-37(31,5)19-9-21-39(33,7)35(41)43-36(42)40(8)22-10-20-38(6)32-16-12-28(26(3)4)24-30(32)14-18-34(38)40/h13-14,23-26,31-34H,9-12,15-22H2,1-8H3/t31-,32-,33+,34+,37+,38+,39+,40+/m0/s1
印地 Std.InChI: INCHI InChI=1S/C40H58O3/c1-25(2)27-11-15-31-29(23-27)13-17-33-37(31,5)19-9-21-39(33,7)35(41)43-36(42)40(8)22-10-20-38(6)32-16-12-28(26(3)4)24-30(32)14-18-34(38)40/h13-14,23-26,31-34H,9-12,15-22H2,1-8H3/t31-,32-,33+,34+,37+,38+,39+,40+/m0/s1
INCHI基 InChIKey :NDTNEAIKTSZYCF-XWNHBAMRBC
标准奇奇 Std.InChIKey: NDTNEAIKTSZYCF-XWNHBAMRSA-N
微笑 SMILES :cc CC(C)C1=cc CC2=cc CC[C@@H]3[C@@]([c @ h C@H]2cc CC1)(抄送 cc CCC[C@@]3(C)C(= o =O)OC(= o =O)[C@@]4(抄送 cc CCC[C@]5([c @ h C@H]4cc CC=C6[C@@H]5抄送 cc CCC(=C6)C(C)C)C)C)C
MDL : mfcd00132205 MFCD00132205
磨牙 Molar 折射率 Refractivity :175.61 ± 0.4 cm3 (估 est)
Parachor :1394.7 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.557 ± 0.03 (估 est)
表面张力 Surface Tension :42.9 ± 5.0 dyne/cm (估 est)
密度 Density :1.07 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :69.61 ± 0.5 10-24cm3 (估 est)