337313 -OEChem-05052418422D 89 98 0 1 0 0 0 0 0999 V2000 2.0000 2.1024 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.5249 -0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3136 -0.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9074 -3.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 2.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6178 -2.7028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 3.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9849 0.1737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3959 -0.7026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9519 -1.6829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4307 -0.7386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9167 0.2153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4368 1.0624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0753 -1.6960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3875 -2.6021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9725 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8104 -1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4722 1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3096 -2.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 1.8200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9499 0.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 -1.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6181 -2.6796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8693 1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1336 -0.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0302 -3.6370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9454 3.6678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9454 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8693 4.0504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7932 3.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 4.5303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5628 2.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3842 4.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5692 2.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5032 -4.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 4.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7171 4.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 4.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0169 3.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9954 2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9767 -5.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5028 -4.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 5.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7982 1.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8179 -1.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9344 -3.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4376 -0.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4561 0.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 -1.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3180 -1.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 1.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3732 1.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 -2.7532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3944 -3.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6329 1.9519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2532 -0.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8553 -1.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6366 -1.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9145 -3.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 0.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 -0.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5191 -0.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7028 -4.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6421 0.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 4.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7829 -0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 5.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9362 5.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 5.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9402 -2.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9543 3.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2899 4.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4798 4.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7487 4.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4132 5.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6031 4.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 4.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5668 3.2144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0367 0.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7843 3.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4496 -5.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6503 -5.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5038 -5.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7960 -5.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8292 -4.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 5.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3312 5.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 10 2 1 1 0 0 0 2 14 1 0 0 0 0 11 3 1 6 0 0 0 3 66 1 0 0 0 0 4 15 1 0 0 0 0 4 26 1 0 0 0 0 5 20 1 0 0 0 0 5 30 1 0 0 0 0 23 6 1 1 0 0 0 6 72 1 0 0 0 0 7 27 1 0 0 0 0 7 82 1 0 0 0 0 8 21 1 0 0 0 0 8 34 1 0 0 0 0 8 68 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 25 1 6 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 13 46 1 1 0 0 0 14 23 1 0 0 0 0 14 47 1 6 0 0 0 15 19 1 0 0 0 0 15 48 1 6 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 24 1 0 0 0 0 20 57 1 6 0 0 0 21 24 2 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 26 1 0 0 0 0 23 61 1 0 0 0 0 24 28 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 36 1 1 0 0 0 26 65 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 28 32 2 0 0 0 0 28 34 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 29 67 1 1 0 0 0 30 38 1 0 0 0 0 30 39 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 0 0 0 0 31 69 1 6 0 0 0 32 35 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 41 2 0 0 0 0 35 40 1 0 0 0 0 35 42 2 0 0 0 0 36 43 1 0 0 0 0 36 44 2 0 0 0 0 37 40 1 0 0 0 0 37 45 2 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 41 42 1 0 0 0 0 41 81 1 0 0 0 0 43 83 1 0 0 0 0 43 84 1 0 0 0 0 43 85 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 M END > 337313 > 1 > 1420 > 6 > 4 > 1 > AAADcfB+OAAEAAAAAAAAAAAAEgBgAeIAAAA0YMGCBIAeJHjR8AAAHgIQCAAAD16hniIywPLJlgCgAyRiRACCgCAhByAAmSAwbpgJNmLBs5mGcAhn0AHL+Afw8P8PjAACYAITAADYAAbQBDaAAaEADQAAAA== > (1S,2R,5S,6R,8S,9S,10R,12S,15R,16S,25R,27S)-21-chloro-10-isopropenyl-15,16,33,33-tetramethyl-24-methylene-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol > (1S,2R,5S,6R,8S,9S,10R,12S,15R,16S,25R,27S)-21-chloro-15,16,33,33-tetramethyl-24-methylene-10-(1-methylethenyl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol > (1S,2R,5S,6R,8S,9S,10R,12S,15R,16S,25R,27S)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol > (1S,2R,5S,6R,8S,9S,10R,12S,15R,16S,25R,27S)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol > (1S,2R,5S,6R,8S,9S,10R,12S,15R,16S,25R,27S)-21-chloranyl-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol > (1S,2R,5S,6R,8S,9S,10R,12S,15R,16S,25R,27S)-21-chloro-10-isopropenyl-15,16,33,33-tetramethyl-24-methylene-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol > InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31-,33+,34+,35-,36?,37+/m0/s1 > JDUWHZOLEDOQSR-JHMXYHNCSA-N > 3.8 > 633.2857158 > C37H44ClNO6 > 634.2 > CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C7C5OC(C8CC9C8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O > CC(=C)[C@@H]1[C@@H]([C@H]2[C@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9C8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O > 108 > 633.2857158 > 0 > 45 > 12 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 25 6 13 46 5 14 47 6 15 48 6 10 2 5 20 57 6 21 24 8 24 28 8 26 36 5 28 32 8 28 34 8 29 67 5 11 3 6 31 69 6 32 35 8 34 41 8 35 42 8 41 42 8 23 6 5 27 7 3 8 21 8 8 34 8 9 22 5 $$$$