54648219 -OEChem-05132417572D 67 71 0 1 0 0 0 0 0999 V2000 8.3780 2.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8507 3.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9488 4.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0140 1.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 0.3726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3676 -0.1690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3507 1.6944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6597 2.6454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0356 0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6751 2.8777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0562 1.1183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3507 1.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 2.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7224 0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9731 3.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6657 0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0263 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7014 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 2.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2916 -0.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3466 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0128 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7001 -1.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9918 -0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3664 -2.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6580 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3453 -2.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0116 -2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6989 -3.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9906 -2.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3652 -4.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6568 -3.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3441 -4.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 0.9205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 3.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5057 0.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 0.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2803 3.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6629 1.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1954 0.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9525 -0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9443 4.4516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3582 3.9114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8641 0.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 3.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 2.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1335 4.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1738 -0.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 1.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 0.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -0.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7027 -0.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 -1.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 -0.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8736 0.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 0.6109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0932 -1.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1856 0.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1725 -2.9950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2650 -1.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0920 -4.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1844 -2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1713 -5.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2638 -3.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7572 -4.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 15 1 0 0 0 0 3 49 1 0 0 0 0 4 19 2 0 0 0 0 5 18 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 36 1 6 0 0 0 8 10 1 0 0 0 0 8 37 1 6 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 15 1 6 0 0 0 10 40 1 0 0 0 0 11 14 1 1 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 2 0 0 0 0 16 46 1 0 0 0 0 17 20 2 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 20 48 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 26 28 2 0 0 0 0 26 60 1 0 0 0 0 27 29 2 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 34 2 0 0 0 0 32 64 1 0 0 0 0 33 35 2 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > 54648219 > 1 > 688 > 5 > 2 > 7 > AAADcfB7OAAAAAAAAAAAAAAAAAAAASAAAAA0YMEAAAAAAEgBUAAAHgAQCAAADRzhmAYyxoPABgCIAiVSUACCCAAhIgAIiIEObIgNNjbEsZuGeCjn9hHL6Af4+P+OwEAAQAAIAACAgACAABAAAAAAAAAAAA== > 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]ethanamide > 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-methylol-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(4-phenylbenzyl)acetamide > InChI=1S/C29H32N2O4/c1-31(2)22-12-13-26-24(14-22)25-15-23(34-27(18-32)29(25)35-26)16-28(33)30-17-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-14,23,25,27,29,32H,15-18H2,1-2H3,(H,30,33)/t23-,25+,27+,29-/m1/s1 > VYGASUNDANZNMF-KYYACDKCSA-N > 3.7 > 472.23620751 > C29H32N2O4 > 472.6 > CN(C)C1=CC2=C(C=C1)OC3C2CC(OC3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5 > CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5 > 71 > 472.23620751 > 0 > 35 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 6 11 14 5 12 13 8 12 16 8 13 17 8 16 18 8 17 20 8 18 20 8 24 25 8 24 26 8 25 27 8 26 28 8 27 29 8 28 29 8 30 31 8 30 32 8 31 33 8 32 34 8 33 35 8 34 35 8 7 36 6 8 37 6 $$$$