宝丹酮

熔点

164-166°C

比旋光度

D25 +25° (in chloroform)

沸点

368.77°C (rough estimate)

密度

1.0655 (rough estimate)

折射率

1.4709 (estimate)

储存条件

Controlled Substance, -20°C Freezer

溶解度

DMF: 25 mg/ml; DMSO: 15 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml

酸度系数(pKa)

15.05±0.60(Predicted)

形态

A crystalline solid

水溶解性

57.1mg/L at 20℃

InChI

InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/s3

InChIKey

RSIHSRDYCUFFLA-KRHBYBJCNA-N

SMILES

[C@@]12([H])CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O |&1:0,10,12,16,18,21,r|