10994704 -OEChem-05132420492D 64 68 0 1 0 0 0 0 0999 V2000 5.7583 2.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9772 -0.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 -1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4511 -1.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9951 -2.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6586 -0.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4255 -2.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 2.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8639 3.7036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -0.7454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4949 1.5250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0150 -0.3066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1860 0.2526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2360 0.5590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4616 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5077 -0.2356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2849 0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9265 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 -1.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5601 -1.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3111 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5695 2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6843 -1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9728 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5995 1.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2258 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6444 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1326 -2.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9920 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9778 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3537 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8404 3.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3253 -2.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7013 -3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6871 -3.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 -1.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4813 0.7279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 1.8338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8473 1.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0741 -0.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9447 -1.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3788 -1.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 2.7230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2462 -1.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0400 -0.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5848 0.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4835 -2.3074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -1.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6533 -2.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -2.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2544 -0.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6408 -0.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6942 -3.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 -3.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 -2.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3735 -1.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7425 -2.4940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3238 3.0100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2288 3.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3571 3.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9365 -3.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3055 -4.0130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9025 -4.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 14 2 1 1 0 0 0 2 23 1 0 0 0 0 3 19 1 0 0 0 0 3 26 1 0 0 0 0 4 20 1 0 0 0 0 4 48 1 0 0 0 0 5 19 2 0 0 0 0 6 21 1 0 0 0 0 6 28 1 0 0 0 0 7 23 1 0 0 0 0 7 29 1 0 0 0 0 8 27 1 0 0 0 0 8 33 1 0 0 0 0 9 27 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 6 0 0 0 13 15 1 0 0 0 0 13 38 1 6 0 0 0 14 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 6 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 31 57 1 0 0 0 0 32 35 2 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 36 2 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 M END > 10994704 > 1 > 808 > 10 > 1 > 10 > AAADceB7PAAAAAAAAAAAAAAAFgAAAAAAAAA8eIEABYAWAACxQAAAHgAECAAADSzhmAcyzoMQBgCIAiTSWACCCAAlIgAoiAEObMgedjLE9Zu3eSjnxhnc6Yf+2POOwAABQgAKAACAAAKEABQAAAAAAAAAAA== > dimethyl (8R,9R,10S,12S)-6-benzyloxy-8-(hydroxymethyl)-9-(methoxymethoxy)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylate > (8R,9R,10S,12S)-8-(hydroxymethyl)-9-(methoxymethoxy)-6-phenylmethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylic acid dimethyl ester > dimethyl (8R,9R,10S,12S)-8-(hydroxymethyl)-9-(methoxymethoxy)-6-phenylmethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylate > dimethyl (8R,9R,10S,12S)-8-(hydroxymethyl)-9-(methoxymethoxy)-6-phenylmethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylate > dimethyl (8R,9R,10S,12S)-8-(hydroxymethyl)-9-(methoxymethoxy)-6-phenylmethoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylate > (8R,9R,10S,12S)-6-benzoxy-9-(methoxymethoxy)-8-methylol-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylic acid dimethyl ester > InChI=1S/C25H28N2O9/c1-31-14-35-25-17(12-28)21-18(26(36-25)11-19-22(25)27(19)24(30)33-3)9-16(23(29)32-2)10-20(21)34-13-15-7-5-4-6-8-15/h4-10,17,19,22,28H,11-14H2,1-3H3/t17-,19-,22-,25+,27?/m0/s1 > KREIRZFNFHICRK-ZERYUAOZSA-N > 1.9 > 500.17948047 > C25H28N2O9 > 500.5 > COCOC12C(C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)OC)N(O1)CC5C2N5C(=O)OC)CO > COCO[C@]12[C@H](C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)OC)N(O1)C[C@H]5[C@@H]2N5C(=O)OC)CO > 116 > 500.17948047 > 0 > 36 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 37 6 13 38 6 16 20 6 17 18 8 17 21 8 18 22 8 14 2 5 21 24 8 22 25 8 24 25 8 30 31 8 30 32 8 31 34 8 32 35 8 34 36 8 35 36 8 $$$$