60193884 -OEChem-04232419372D 79 83 0 1 0 0 0 0 0999 V2000 6.6115 0.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -0.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -4.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 4.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -1.9950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 1.2325 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0363 -3.1598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -0.5290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6115 0.1781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0598 -1.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9942 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -2.9609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2846 -0.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -2.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -3.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -3.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -3.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 2.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 0.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -3.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -2.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 0.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -4.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 2.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -4.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 3.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 3.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9600 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3427 2.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 0.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 0.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -2.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -1.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 1.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 1.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -2.8004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -0.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 -0.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 0.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -3.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -2.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -3.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -4.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -4.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 2.7758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 2.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 0.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 -0.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 0.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -4.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -4.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -3.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -0.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -1.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 1.1573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -4.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -2.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 1.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 2.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -4.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -4.3461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3650 3.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7313 0.9207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3374 1.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9574 2.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7313 4.3461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 15 2 0 0 0 0 3 22 1 0 0 0 0 3 74 1 0 0 0 0 4 38 1 0 0 0 0 4 79 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 1 0 0 0 8 41 1 0 0 0 0 9 11 1 6 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 6 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 27 2 0 0 0 0 19 21 1 0 0 0 0 19 28 2 0 0 0 0 20 29 2 0 0 0 0 21 30 2 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 31 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 32 1 0 0 0 0 27 66 1 0 0 0 0 28 33 1 0 0 0 0 28 67 1 0 0 0 0 29 34 1 0 0 0 0 29 68 1 0 0 0 0 30 35 1 0 0 0 0 30 69 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 32 34 2 0 0 0 0 32 71 1 0 0 0 0 33 35 2 0 0 0 0 33 70 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 36 38 1 0 0 0 0 36 75 1 0 0 0 0 37 39 2 0 0 0 0 37 76 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 M END > 60193884 > 1 > 828 > 5 > 2 > 6 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAACAAADTzhngYyxvMMFgCoAyVyVACCgCAnIiAI2CG+bNgKdvLCtbuXcQhmxhHY+Qe42fOegAABAAASAAAAAAIAACQAAAAAAAAAAA== > (10S,11S)-13-[(1S)-2-hydroxy-1-methyl-ethyl]-10-[[(3-hydroxyphenyl)methyl-methyl-amino]methyl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > (10S,11S)-10-[[(3-hydroxyphenyl)methyl-methylamino]methyl]-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > (10S,11S)-10-[[(3-hydroxyphenyl)methyl-methylamino]methyl]-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > (10S,11S)-10-[[(3-hydroxyphenyl)methyl-methylamino]methyl]-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > (10S,11S)-10-[[(3-hydroxyphenyl)methyl-methyl-amino]methyl]-11,16-dimethyl-13-[(2S)-1-oxidanylpropan-2-yl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > (10S,11S)-10-[[(3-hydroxybenzyl)-methyl-amino]methyl]-13-[(1S)-2-hydroxy-1-methyl-ethyl]-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > InChI=1S/C33H39N3O4/c1-22-17-36(23(2)20-37)33(39)32-31(28-14-7-8-15-29(28)35(32)4)27-13-6-5-11-25(27)21-40-30(22)19-34(3)18-24-10-9-12-26(38)16-24/h5-16,22-23,30,37-38H,17-21H2,1-4H3/t22-,23-,30+/m0/s1 > DXNHWVNJBJSZGC-ZTNZZFSWSA-N > 4.6 > 541.29405673 > C33H39N3O4 > 541.7 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)CC4=CC(=CC=C4)O)C5=CC=CC=C5N2C)C(C)CO > C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC(=CC=C4)O)C5=CC=CC=C5N2C)[C@@H](C)CO > 78.2 > 541.29405673 > 0 > 40 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 23 6 14 16 8 16 19 8 18 20 8 18 27 8 19 21 8 19 28 8 20 29 8 21 30 8 27 32 8 28 33 8 29 34 8 30 35 8 31 36 8 31 37 8 32 34 8 33 35 8 36 38 8 37 39 8 38 40 8 39 40 8 7 14 8 7 21 8 8 13 5 9 11 6 $$$$