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Brucine dihydrate	Predict NMR spectrum	RN:  145428-94-0 MF:  C23H26N2O4.2.0H2O MW:  430.501 mp (°C):  174  - 179
InChI:  1S/C23H26N2O4.2H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;2*1H2/t13-,18-,19-,21?,22?,23+;;/m0../s1 InChIKey:  VWLBJWIPYIYRBM-BESRUIHSSA-N	H donor:  2 H acceptor:  8 Rotatable bond:  2 Stereocenter:  6	cLogP:  1.271 cLogS:  -3.589 Polar surface:  69.7
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