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Digitoxin	Predict NMR spectrum	RN:  71-63-6 MF:  C41H64O13 MW:  764.95136 mp (°C):  228  - 230
InChI:  1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1 InChIKey:  WDJUZGPOPHTGOT-XUDUSOBPSA-N	H donor:  5 H acceptor:  13 Rotatable bond:  7 Stereocenter:  20	cLogP:  2.637 cLogS:  -6.086 Polar surface:  182.83
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