44143776 -OEChem-03282404222D 57 60 0 1 0 0 0 0 0999 V2000 7.1962 4.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 11 2 0 0 0 0 3 16 1 0 0 0 0 3 24 1 0 0 0 0 4 17 1 0 0 0 0 4 26 1 0 0 0 0 5 20 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 6 0 0 0 6 33 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 11 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 38 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 15 19 2 0 0 0 0 15 40 1 0 0 0 0 16 21 1 0 0 0 0 17 20 2 0 0 0 0 18 22 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 30 1 0 0 0 0 28 53 1 0 0 0 0 29 31 2 0 0 0 0 29 54 1 0 0 0 0 30 32 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 M END > 44143776 > 1 > 644 > 5 > 0 > 7 > AAADceB4OQAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAAABUAAAGwAAAAAADQSgmAoyBoAABACIAqBSAAACCAAgIAAIiAEGiMgNJjKEMRqCOCKkwBEKqQeIyPCOoAABAAAIQABAAAIAABCAAAAAAAAAAA== > (5R)-3-(2-benzyloxy-4-fluoro-phenyl)-5-(3,4-dimethoxyphenyl)cyclohex-2-en-1-one > (5R)-5-(3,4-dimethoxyphenyl)-3-(4-fluoro-2-phenylmethoxyphenyl)-1-cyclohex-2-enone > (5R)-5-(3,4-dimethoxyphenyl)-3-(4-fluoro-2-phenylmethoxyphenyl)cyclohex-2-en-1-one > (5R)-5-(3,4-dimethoxyphenyl)-3-(4-fluoro-2-phenylmethoxyphenyl)cyclohex-2-en-1-one > (5R)-5-(3,4-dimethoxyphenyl)-3-(4-fluoranyl-2-phenylmethoxy-phenyl)cyclohex-2-en-1-one > (5R)-3-(2-benzoxy-4-fluoro-phenyl)-5-(3,4-dimethoxyphenyl)cyclohex-2-en-1-one > InChI=1S/C27H25FO4/c1-30-25-11-8-19(15-27(25)31-2)20-12-21(14-23(29)13-20)24-10-9-22(28)16-26(24)32-17-18-6-4-3-5-7-18/h3-11,14-16,20H,12-13,17H2,1-2H3/t20-/m1/s1 > YJIUNOJGMCDFTB-HXUWFJFHSA-N > 5 > 432.17368744 > C27H25FO4 > 432.5 > COC1=C(C=C(C=C1)C2CC(=CC(=O)C2)C3=C(C=C(C=C3)F)OCC4=CC=CC=C4)OC > COC1=C(C=C(C=C1)[C@@H]2CC(=CC(=O)C2)C3=C(C=C(C=C3)F)OCC4=CC=CC=C4)OC > 44.8 > 432.17368744 > 0 > 32 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 15 8 13 16 8 13 18 8 14 17 8 15 19 8 16 21 8 17 20 8 18 22 8 19 20 8 21 23 8 22 23 8 25 28 8 25 29 8 28 30 8 29 31 8 30 32 8 31 32 8 6 10 6 $$$$