24893807 -OEChem-04262408312D 66 71 0 1 0 0 0 0 0999 V2000 3.9192 -0.8926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 1.7004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5426 1.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1418 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1254 -2.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4548 -0.1287 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5081 0.2666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8298 0.8075 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5081 -0.6010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5101 0.1605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9840 -0.9489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9840 0.6144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6075 -0.1672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8298 -1.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -1.0348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2594 0.7004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9076 1.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 2.0126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5390 1.3592 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9626 0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4548 -0.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0108 -0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 1.5872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0108 0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -2.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2587 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9468 -0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1757 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2259 3.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3999 1.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 -1.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 0.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -1.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3646 0.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3145 -1.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 -1.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7225 1.0104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0903 2.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5159 1.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1306 2.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2589 1.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8007 -0.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 0.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0742 -0.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5077 -1.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6214 -0.4933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2228 -1.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0408 2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2228 0.8492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6214 0.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0474 -2.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6488 -1.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8091 0.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6010 0.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 2.0104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2791 0.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8021 -1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -0.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0915 -0.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4230 0.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7442 -0.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9284 -0.5014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1254 -3.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6081 3.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2781 3.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8437 3.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 1 27 1 0 0 0 0 16 2 1 1 0 0 0 2 55 1 0 0 0 0 3 19 1 0 0 0 0 3 56 1 0 0 0 0 23 4 1 6 0 0 0 4 29 1 0 0 0 0 5 25 1 0 0 0 0 5 63 1 0 0 0 0 6 10 1 0 0 0 0 6 21 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 30 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 1 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 1 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 34 1 0 0 0 0 13 20 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 25 1 6 0 0 0 16 24 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 40 1 6 0 0 0 19 41 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 M END > 24893807 > 1 > 705 > 6 > 3 > 4 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAYMAAAA8YMEAB4gWAGAAAAAAHgAACAAAD3zhgAYCAAMABgAAAAAAAAAAAAAAAAAAAAAIAAAAEAIAgAAEQAAHAACAAAGQ8P8PgAAAAAAAAADQAAaUADQAAaAADQAAAA== > (1S,5S,6S,8S,9S,10R,13S,16S)-11-ethyl-13-(hydroxymethyl)-6,8-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,16-diol > (1S,5S,6S,8S,9S,10R,13S,16S)-11-ethyl-13-(hydroxymethyl)-6,8-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,16-diol > (1S,5S,6S,8S,9S,10R,13S,16S)-11-ethyl-13-(hydroxymethyl)-6,8-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,16-diol > (1S,5S,6S,8S,9S,10R,13S,16S)-11-ethyl-13-(hydroxymethyl)-6,8-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,16-diol > (1S,5S,6S,8S,9S,10R,13S,16S)-11-ethyl-13-(hydroxymethyl)-6,8-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,16-diol > (1S,5S,6S,8S,9S,10R,13S,16S)-11-ethyl-6,8-dimethoxy-13-methylol-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,16-diol > InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(26)23-13-7-12-15(28-2)9-22(29-3,18(13)19(12)27)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13?,14+,15+,16?,17+,18?,19?,20-,21+,22+,23-/m1/s1 > HOCJNIVJUMYCKR-IFHXUIKGSA-N > 0.4 > 407.26717328 > C23H37NO5 > 407.5 > CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)OC)O)CO > CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@H](CC23)[C@]5(C[C@@H]([C@H]6CC4C5C6O)OC)OC)O)CO > 82.4 > 407.26717328 > 0 > 29 > 8 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 6 10 32 5 11 33 5 12 19 3 15 25 6 18 40 6 16 2 5 19 3 3 23 4 6 7 8 5 8 17 3 9 14 3 $$$$