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.alpha.-Amanitin Aids-004473 Aids004473 Amanitin	Predict NMR spectrum	RN:  23109-05-9 MF:  C39H54N10O14S MW:  918.97636
InChI:  1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59) InChIKey:  CIORWBWIBBPXCG-UHFFFAOYSA-N	H donor:  13 H acceptor:  24 Rotatable bond:  7 Stereocenter:  11	cLogP:  -5.431 cLogS:  -1.37 Polar surface:  400.09
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