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熔点:
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315-318°C
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沸点:
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885.0±65.0 °C(Predicted)
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密度:
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1.30
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储存条件:
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2-8°C
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溶解度:
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DMSO: ≥5mg/mL
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酸度系数(pKa):
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12.85±0.70(Predicted)
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形态:
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powder
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颜色:
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white to beige
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旋光度 (Optical Rotation):
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[α]/D +10 to +20°, c = 1 in methanol
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InChI:
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InChI=1/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/s3
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|
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InChIKey:
-
RWXIFXNRCLMQCD-JBVRGBGGSA-N
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SMILES:
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C[C@@]12CC[C@@]3([H])C([C@@H](O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@]4([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O4)O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([H])[C@@]([H])([C@](O)(C)CCC=C(C)C)CC[C@@]21C)(C)C |&1:1,4,7,9,12,15,17,19,21,23,24,26,28,35,37,40,42,44,46,57,r|
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CAS 数据库:
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14197-60-5(CAS DataBase Reference)
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