6326668 -OEChem-05052411142D 128131 0 1 0 0 0 0 0999 V2000 9.9856 -3.7970 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.7624 0.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4308 -4.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0399 0.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2308 0.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 3.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3587 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8541 -0.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 3.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2489 2.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6128 2.1701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4295 -2.3354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0812 2.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 0.9499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6579 -0.7688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4669 -1.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0579 1.8080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7444 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6398 -2.1701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8670 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5579 3.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5579 3.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7263 -2.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5264 2.5768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9534 0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3354 1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6217 -3.5714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2759 -1.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0547 -0.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8791 -2.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 3.5714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4488 -2.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7082 -3.9781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5444 3.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8219 4.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8992 -3.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6037 -4.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8038 2.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8902 2.3511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6490 4.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2812 -2.2147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1766 -3.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2971 1.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4721 -1.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1677 2.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0632 1.5377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1858 3.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5767 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1496 1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7676 -0.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4902 -0.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3406 1.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 1.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 3.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 2.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4344 -0.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7456 1.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5944 -0.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1259 -1.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2062 -1.9179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1770 1.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4334 2.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6227 3.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9515 3.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1644 3.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4931 3.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5763 -1.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1078 -2.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8387 3.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5569 -4.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9115 -2.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7775 -2.3088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6404 -1.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5563 -0.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4191 -0.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5531 -0.1832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3775 -1.8012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5147 -2.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3807 -2.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6957 4.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0844 -3.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9504 -3.1223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8133 -2.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1418 -4.2303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6944 3.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1629 4.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1863 4.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3203 4.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4574 3.6576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9871 -4.9078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5389 -5.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2203 -5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 1.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 0.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1249 1.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3660 -4.7757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4084 1.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2656 4.9078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7138 5.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0324 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5046 -2.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5806 -3.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9048 -3.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7307 1.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5493 0.8713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8634 1.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9057 -1.8791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9984 0.9211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8024 3.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2506 4.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5692 3.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7036 0.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4963 0.6169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4888 0.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7424 -0.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0566 0.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2380 0.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3622 0.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0115 2.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 1.6476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7009 3.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 3.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 2.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 2.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 1 43 1 0 0 0 0 2 15 1 0 0 0 0 2 25 1 0 0 0 0 27 3 1 6 0 0 0 3100 1 0 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 38 2 0 0 0 0 7 46 2 0 0 0 0 8 51 2 0 0 0 0 9 58 1 0 0 0 0 9 59 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 10 26 1 0 0 0 0 11 24 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 36 2 0 0 0 0 12 42 1 0 0 0 0 13 40 1 0 0 0 0 13 46 1 0 0 0 0 13 48 1 0 0 0 0 14 47 1 0 0 0 0 14 51 1 0 0 0 0 14118 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 60 1 1 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 17 61 1 6 0 0 0 18 19 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 23 1 0 0 0 0 19 32 1 1 0 0 0 19 64 1 0 0 0 0 20 22 1 0 0 0 0 20 65 1 0 0 0 0 20 66 1 0 0 0 0 21 22 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 27 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 24 73 1 6 0 0 0 27 33 1 0 0 0 0 27 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 1 0 0 0 31 84 1 0 0 0 0 32 85 1 0 0 0 0 32 86 1 0 0 0 0 32 87 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 6 0 0 0 33 88 1 0 0 0 0 34 41 1 0 0 0 0 34 89 1 0 0 0 0 34 90 1 0 0 0 0 35 91 1 0 0 0 0 35 92 1 0 0 0 0 35 93 1 0 0 0 0 37 94 1 0 0 0 0 37 95 1 0 0 0 0 37 96 1 0 0 0 0 38 40 1 0 0 0 0 39 97 1 0 0 0 0 39 98 1 0 0 0 0 39 99 1 0 0 0 0 40 44 1 6 0 0 0 40101 1 0 0 0 0 41102 1 0 0 0 0 41103 1 0 0 0 0 41104 1 0 0 0 0 42 43 1 0 0 0 0 42 45 1 0 0 0 0 42105 1 1 0 0 0 43106 1 0 0 0 0 43107 1 0 0 0 0 44108 1 0 0 0 0 44109 1 0 0 0 0 44110 1 0 0 0 0 45 49 2 0 0 0 0 45111 1 0 0 0 0 46 47 1 0 0 0 0 47 50 1 1 0 0 0 47112 1 0 0 0 0 48113 1 0 0 0 0 48114 1 0 0 0 0 48115 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 50 53 1 0 0 0 0 50116 1 0 0 0 0 50117 1 0 0 0 0 52119 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 54122 1 0 0 0 0 55 57 2 0 0 0 0 55123 1 0 0 0 0 56 58 2 0 0 0 0 56124 1 0 0 0 0 57 58 1 0 0 0 0 57125 1 0 0 0 0 59126 1 0 0 0 0 59127 1 0 0 0 0 59128 1 0 0 0 0 M END > 6326668 > 1 > 1560 > 10 > 2 > 6 > AAADcfB/vABAAAAAAAAAAAAAAAAAAWIAAAAwAAAAAAAAAAABAAAAHgQQCAAADzzl2AayDoPABgioAiHyHACCGAAgIBAIiIG+CMgOdjKksTuXcCAk1hG4qYeY+e6PIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (2S,3S,5S,7S,10S,16S,19S,22S,25E,27S)-7-tert-butyl-3-hydroxy-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-16-[(1S)-1-methylpropyl]-8-oxa-29-thia-14,17,20,23,30-pentazatricyclo[25.2.1.010,14]triaconta-1(30),25-diene-9,15,18,21,24-pentone > (2S,3S,5S,7S,10S,16S,19S,22S,25E,27S)-16-[(2S)-butan-2-yl]-7-tert-butyl-3-hydroxy-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-8-oxa-29-thia-14,17,20,23,30-pentazatricyclo[25.2.1.010,14]triaconta-1(30),25-diene-9,15,18,21,24-pentone > (2S,3S,5S,7S,10S,16S,19S,22S,25E,27S)-16-[(2S)-butan-2-yl]-7-tert-butyl-3-hydroxy-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-8-oxa-29-thia-14,17,20,23,30-pentazatricyclo[25.2.1.010,14]triaconta-1(30),25-diene-9,15,18,21,24-pentone > (2S,3S,5S,7S,10S,16S,19S,22S,25E,27S)-16-[(2S)-butan-2-yl]-7-tert-butyl-3-hydroxy-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-8-oxa-29-thia-14,17,20,23,30-pentazatricyclo[25.2.1.010,14]triaconta-1(30),25-diene-9,15,18,21,24-pentone > (2S,3S,5S,7S,10S,16S,19S,22S,25E,27S)-16-[(2S)-butan-2-yl]-7-tert-butyl-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-3-oxidanyl-8-oxa-29-thia-14,17,20,23,30-pentazatricyclo[25.2.1.010,14]triaconta-1(30),25-diene-9,15,18,21,24-pentone > (2S,3S,5S,7S,10S,16S,19S,22S,25E,27S)-7-tert-butyl-3-hydroxy-2,5,17,19,20,25-hexamethyl-16-[(1S)-1-methylpropyl]-22-p-anisyl-8-oxa-29-thia-14,17,20,23,30-pentazatricyclo[25.2.1.010,14]triaconta-1(30),25-diene-9,15,18,21,24-pentone > InChI=1S/C45H69N5O8S/c1-13-27(3)38-43(55)50-20-14-15-35(50)44(56)58-37(45(7,8)9)22-26(2)21-36(51)29(5)40-46-32(25-59-40)23-28(4)39(52)47-34(24-31-16-18-33(57-12)19-17-31)42(54)48(10)30(6)41(53)49(38)11/h16-19,23,26-27,29-30,32,34-38,51H,13-15,20-22,24-25H2,1-12H3,(H,47,52)/b28-23+/t26-,27-,29-,30-,32-,34-,35-,36-,37-,38-/m0/s1 > KXUJXPZXILTXDA-CKIYSKEDSA-N > 6.6 > 839.48668535 > C45H69N5O8S > 840.1 > CCC(C)C1C(=O)N2CCCC2C(=O)OC(CC(CC(C(C3=NC(CS3)C=C(C(=O)NC(C(=O)N(C(C(=O)N1C)C)C)CC4=CC=C(C=C4)OC)C)C)O)C)C(C)(C)C > CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@H](C[C@@H]([C@@H](C3=N[C@H](CS3)/C=C(/C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C)C)CC4=CC=C(C=C4)OC)\C)C)O)C)C(C)(C)C > 183 > 839.48668535 > 0 > 59 > 10 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 15 60 5 17 61 6 19 32 5 24 73 6 27 3 6 31 35 5 33 37 6 40 44 6 42 105 5 47 50 5 53 54 8 53 55 8 54 56 8 55 57 8 56 58 8 57 58 8 $$$$