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Vitamin D3	Predict NMR spectrum	RN:  67-97-0 MF:  C27H44O MW:  384.64576 mp (°C):  82  - 87
InChI:  1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1 InChIKey:  QYSXJUFSXHHAJI-YRZJJWOYSA-N	H donor:  1 H acceptor:  1 Rotatable bond:  6 Stereocenter:  5	cLogP:  8.014 cLogS:  -5.995 Polar surface:  20.23
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