70237307 -OEChem-05082409352D 64 67 0 1 0 0 0 0 0999 V2000 8.4378 -3.3445 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 0.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 0.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2504 -1.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 2.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2002 -1.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 -1.4163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -1.9897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9980 -2.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -3.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 -1.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -3.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8604 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0612 -3.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9348 -1.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6675 -1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6431 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 -0.4413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2665 0.3405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7178 -3.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 -2.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 1.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -0.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5451 -0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 0.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5201 -0.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8148 0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9306 -2.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1752 -1.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 -2.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -2.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -3.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -3.9853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 -3.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -1.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -2.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -2.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -3.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -3.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 -3.0117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 -1.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 -0.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -1.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 0.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 0.8655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7265 -3.9908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 -1.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 1.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 0.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7380 1.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3174 1.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4193 0.3642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 3.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4761 -3.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3523 -3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 -2.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3131 -1.8443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7796 -1.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0372 -0.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 19 2 0 0 0 0 4 27 1 0 0 0 0 4 33 1 0 0 0 0 5 29 1 0 0 0 0 5 58 1 0 0 0 0 6 29 2 0 0 0 0 7 30 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 6 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 22 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 23 2 0 0 0 0 19 21 1 0 0 0 0 20 26 1 0 0 0 0 20 49 1 1 0 0 0 21 25 1 1 0 0 0 21 50 1 0 0 0 0 22 24 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 28 55 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 32 57 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 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 M END > 70237307 > 1 > 756 > 6 > 1 > 6 > AAADceB6OAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAACxQAAAHgIACAAADj7hmCYyzoMABgCIAiXSWAKCCAAhJQAIiAFOzogPJzbFs5+HcCpn5hHa6Af30PMPAABDIAAKQAAAAIZAABSAAAAAAAAAAA== > 2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetic acid > 2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetic acid > 2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetic acid > 2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetic acid > 2-[(2S,10S,12R)-2-tert-butyl-7-chloranyl-10-(2,3-dimethoxyphenyl)-13-oxidanylidene-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]ethanoic acid > 2-[(2S,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-keto-11-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl]acetic acid > InChI=1S/C26H30ClNO6/c1-26(2,3)20-10-9-14-11-15(27)12-17-22(14)28(20)25(31)19(13-21(29)30)34-23(17)16-7-6-8-18(32-4)24(16)33-5/h6-8,11-12,19-20,23H,9-10,13H2,1-5H3,(H,29,30)/t19-,20+,23-/m1/s1 > QBWBHBPOIVQICN-ZRCGQRJVSA-N > 4.7 > 487.1761654 > C26H30ClNO6 > 488.0 > CC(C)(C)C1CCC2=C3N1C(=O)C(OC(C3=CC(=C2)Cl)C4=C(C(=CC=C4)OC)OC)CC(=O)O > CC(C)(C)[C@@H]1CCC2=C3N1C(=O)[C@H](O[C@@H](C3=CC(=C2)Cl)C4=C(C(=CC=C4)OC)OC)CC(=O)O > 85.3 > 487.1761654 > 0 > 34 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 18 8 14 22 8 18 23 8 20 49 5 21 25 5 22 24 8 23 24 8 26 27 8 26 28 8 27 30 8 28 31 8 30 32 8 31 32 8 9 35 6 $$$$