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Ergotamine tartrate Ergotaminetartrate	Predict NMR spectrum	RN:  379-79-3 MF:  C70H76N10O16 MW:  1313.43084
InChI:  1S/2C33H35N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10) InChIKey:  CJMJLDQKTOJACI-UHFFFAOYSA-N	H donor:  10 H acceptor:  26 Rotatable bond:  11 Stereocenter:  14	cLogP:  2.202 cLogS:  -5.31 Polar surface:  351.48
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