16746500 -OEChem-05132423562D 65 69 0 1 0 0 0 0 0999 V2000 5.0286 -4.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6749 -1.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 -2.3899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 -2.8899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7717 -1.8899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7179 -1.5851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9056 -3.3899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7179 -3.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -2.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -1.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 -4.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3015 -2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0071 -0.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8015 -3.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6714 1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3177 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3015 -4.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8015 -3.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8015 -4.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 -4.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6534 -0.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8015 -4.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 2.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 3.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 3.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 4.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8616 -3.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8616 -1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5576 -1.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 -3.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 -3.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 -0.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 -1.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 -4.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 -5.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 -4.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8841 -2.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1938 -1.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -0.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9244 0.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8425 1.8558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6815 -4.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1115 -2.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 -5.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9215 -4.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7813 -1.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2601 -0.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5256 -0.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1115 -5.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 1.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 2.8829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 2.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 4.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 4.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 5.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 5.1806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 16 1 0 0 0 0 2 27 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 35 1 6 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 36 1 1 0 0 0 7 12 1 0 0 0 0 7 37 1 1 0 0 0 8 10 1 0 0 0 0 8 14 1 6 0 0 0 8 38 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 13 2 0 0 0 0 11 41 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 48 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 25 1 0 0 0 0 22 51 1 0 0 0 0 23 26 2 0 0 0 0 23 52 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 28 2 0 0 0 0 25 53 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 32 2 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 M END > 16746500 > 1 > 708 > 3 > 0 > 6 > AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMEAAAAAAEABUAAAHgAAAAAADSzBmAYyBoMABACIAiFSEACCCAAgIAAIiAEODIgMJjKEsRuEMChmxhGIqAecyPCOoAACAAAIAABAAAQAABAAAAAAAAAAAA== > (3R,3aS,7R,7aS)-2-benzyl-3-[2-methoxy-5-(4-methoxyphenyl)phenyl]-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one > (3R,3aS,7R,7aS)-3-[2-methoxy-5-(4-methoxyphenyl)phenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one > (3R,3aS,7R,7aS)-2-benzyl-3-[2-methoxy-5-(4-methoxyphenyl)phenyl]-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one > (3R,3aS,7R,7aS)-2-benzyl-3-[2-methoxy-5-(4-methoxyphenyl)phenyl]-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one > (3R,3aS,7R,7aS)-3-[2-methoxy-5-(4-methoxyphenyl)phenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one > (3R,3aS,7R,7aS)-2-benzyl-3-[2-methoxy-5-(4-methoxyphenyl)phenyl]-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one > InChI=1S/C30H31NO3/c1-20-8-7-11-25-28(20)30(32)31(19-21-9-5-4-6-10-21)29(25)26-18-23(14-17-27(26)34-3)22-12-15-24(33-2)16-13-22/h4-7,9-18,20,25,28-29H,8,19H2,1-3H3/t20-,25+,28+,29-/m1/s1 > QJLHGNUMZRQIHJ-SBJBRADRSA-N > 5.8 > 453.23039385 > C30H31NO3 > 453.6 > CC1CC=CC2C1C(=O)N(C2C3=C(C=CC(=C3)C4=CC=C(C=C4)OC)OC)CC5=CC=CC=C5 > C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N([C@H]2C3=C(C=CC(=C3)C4=CC=C(C=C4)OC)OC)CC5=CC=CC=C5 > 38.8 > 453.23039385 > 0 > 34 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 16 8 12 17 8 16 20 8 17 19 8 18 22 8 18 23 8 19 21 8 20 21 8 22 25 8 23 26 8 24 29 8 24 30 8 25 28 8 26 28 8 29 31 8 30 32 8 31 33 8 32 33 8 5 35 6 6 36 5 7 37 5 8 14 6 $$$$