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Stigmasterol	NEW: Predict NMR spectrum	RN:  83-48-7 MF:  C29H48O MW:  412.69952 mp (°C):  161  - 170
InChI:  1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+ InChIKey:  HCXVJBMSMIARIN-CMDGGOBGSA-N	H donor:  1 H acceptor:  1 Rotatable bond:  5 Stereocenter:  9	cLogP:  7.885 cLogS:  -6.441 Polar surface:  20.23
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