3002190 -OEChem-05122416192D 123127 0 1 0 0 0 0 0999 V2000 6.5393 4.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0713 0.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 4.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9332 3.1966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2044 4.0666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8132 4.2385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9256 1.9856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 3.0296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.5296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 0.0296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 3.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5280 4.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9117 2.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7528 0.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5795 3.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -3.4704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -2.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1636 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5580 3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2259 4.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6127 3.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9464 4.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6070 3.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2774 2.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9701 1.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2552 2.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6405 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6183 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9731 2.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 1.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 4.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 2.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6804 2.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 2.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 0.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -0.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8161 0.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4228 2.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 1.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3147 0.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0148 1.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1908 1.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -1.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8108 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0532 4.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.5531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5811 0.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3758 0.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7462 1.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -1.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3268 2.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0844 3.2009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.5665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 0.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 1.8009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4906 2.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 2.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4571 4.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6995 4.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -4.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -5.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -5.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -4.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3036 2.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8805 5.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3638 1.4365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4458 3.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4499 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0339 0.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 26 1 0 0 0 0 2 19 1 0 0 0 0 2 41 1 0 0 0 0 24 3 1 6 0 0 0 32 3 1 1 0 0 0 20 4 1 6 0 0 0 4 46 1 0 0 0 0 5 32 1 0 0 0 0 5 43 1 0 0 0 0 6 22 2 0 0 0 0 7 26 2 0 0 0 0 35 8 1 6 0 0 0 8111 1 0 0 0 0 9 37 2 0 0 0 0 10 41 2 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 36 12 1 1 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 48 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 52 2 0 0 0 0 14 53 1 0 0 0 0 15 56 1 0 0 0 0 15 58 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 59 1 1 0 0 0 17 19 1 0 0 0 0 17 25 1 6 0 0 0 18 22 1 0 0 0 0 18 28 1 6 0 0 0 18 60 1 0 0 0 0 19 29 1 1 0 0 0 19 61 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 6 0 0 0 21 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 30 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 27 34 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 40 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 37 1 0 0 0 0 30 42 1 1 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 35 1 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 44 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 36 1 0 0 0 0 35 86 1 0 0 0 0 36 39 1 0 0 0 0 36 87 1 0 0 0 0 37 38 1 0 0 0 0 38 41 1 0 0 0 0 38 45 1 1 0 0 0 38 88 1 0 0 0 0 39 43 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 47 1 1 0 0 0 43 97 1 0 0 0 0 44 48 1 0 0 0 0 44 98 1 0 0 0 0 44 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 45102 1 0 0 0 0 46103 1 0 0 0 0 46104 1 0 0 0 0 46105 1 0 0 0 0 47106 1 0 0 0 0 47107 1 0 0 0 0 47108 1 0 0 0 0 48109 1 0 0 0 0 48110 1 0 0 0 0 49112 1 0 0 0 0 49113 1 0 0 0 0 49114 1 0 0 0 0 50115 1 0 0 0 0 50116 1 0 0 0 0 50117 1 0 0 0 0 51 53 2 0 0 0 0 51118 1 0 0 0 0 52119 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 55 57 2 0 0 0 0 55120 1 0 0 0 0 56121 1 0 0 0 0 57 58 1 0 0 0 0 57122 1 0 0 0 0 58123 1 0 0 0 0 M END > 3002190 > 1 > 1440 > 13 > 1 > 11 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWLAAAAsSAAAAAAAAAAB4AAAHgAACAAADXzxngc/mJcMFgCoA7T3fACCgC0xEqAJ2CE4dJibeP7I2ZG/YAhupgLfyCfa7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-[4-(3-pyridyl)imidazol-1-yl]butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone > (1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-[4-(3-pyridinyl)-1-imidazolyl]butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone > (1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone > (1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone > (1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone > (1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-[4-(3-pyridyl)imidazol-1-yl]butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-diquinone > InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1 > LJVAJPDWBABPEJ-PNUFFHFMSA-N > 4.2 > 811.47314329 > C43H65N5O10 > 812.0 > CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C > CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C > 172 > 811.47314329 > 0 > 58 > 13 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 12 5 13 51 8 13 52 8 14 52 8 14 53 8 15 56 8 15 58 8 16 59 5 17 25 6 18 28 6 19 29 5 21 33 6 24 3 6 32 3 5 30 42 5 38 45 5 20 4 6 43 47 5 51 53 8 54 55 8 54 56 8 55 57 8 57 58 8 35 8 6 $$$$