70234865 -OEChem-04232406082D 62 65 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 5.0043 -3.4809 0.0000 O 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 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 5.8604 -2.8876 0.0000 C 0 0 0 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 6.8900 -0.4413 0.0000 C 0 0 1 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 6.7178 -3.3709 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 7.5611 -2.8635 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 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 5.5964 0.8655 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 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 6.7265 -3.9908 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 26 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 18 2 0 0 0 0 5 27 1 0 0 0 0 5 33 1 0 0 0 0 6 29 1 0 0 0 0 6 56 1 0 0 0 0 7 29 2 0 0 0 0 8 30 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 6 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 1 0 0 0 20 47 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 1 0 0 0 22 26 2 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 23 52 1 0 0 0 0 24 29 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 28 53 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > 70234865 > 1 > 758 > 7 > 1 > 6 > AAADceB6OAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAACxQAAAHgIACAAADj7hmCYyzoMABgCIAiXSWAKCCAAhJQAIiAFPzogPJzbFs5+HeCrn5hHa6Af30PMPAABBIQAKUAAAAIJCABSgAAAAAAAAAA== > 2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetic acid > 2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetic acid > 2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetic acid > 2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetic acid > 2-[(2R,10S,12R)-2-tert-butyl-7-chloranyl-10-(2,3-dimethoxyphenyl)-13-oxidanylidene-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]ethanoic acid > 2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-keto-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetic acid > InChI=1S/C25H28ClNO7/c1-25(2,3)19-12-33-17-10-13(26)9-15-21(17)27(19)24(30)18(11-20(28)29)34-22(15)14-7-6-8-16(31-4)23(14)32-5/h6-10,18-19,22H,11-12H2,1-5H3,(H,28,29)/t18-,19+,22-/m1/s1 > VBMSKGISYYYSIZ-XQBPLPMBSA-N > 4.1 > 489.1554299 > C25H28ClNO7 > 489.9 > CC(C)(C)C1COC2=CC(=CC3=C2N1C(=O)C(OC3C4=C(C(=CC=C4)OC)OC)CC(=O)O)Cl > CC(C)(C)[C@@H]1COC2=CC(=CC3=C2N1C(=O)[C@H](O[C@@H]3C4=C(C(=CC=C4)OC)OC)CC(=O)O)Cl > 94.5 > 489.1554299 > 0 > 34 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 35 6 13 17 8 13 19 8 17 22 8 19 23 8 20 24 5 21 48 5 22 26 8 23 26 8 25 27 8 25 28 8 27 30 8 28 31 8 30 32 8 31 32 8 $$$$