70680583 -OEChem-05102411382D 107111 0 1 0 0 0 0 0999 V2000 6.5691 0.2094 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 7.9191 -4.1076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1985 -3.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4041 -1.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 3.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9136 -0.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0475 -1.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0035 0.2112 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.1763 0.2112 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.5908 -1.0771 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.5594 1.4996 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.5690 -0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4495 -0.2283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5375 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4495 0.7135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3453 -1.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2872 -1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6424 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6424 0.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.6821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8362 -1.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3453 2.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0618 -2.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8119 -2.1994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9259 -1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2556 1.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1198 -2.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8945 1.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3155 -0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8485 -3.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0303 3.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 3.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2452 1.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5312 -3.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1815 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8048 -2.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6059 3.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4955 3.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0475 -0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8966 4.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1914 -3.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7796 -0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6456 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5116 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5116 -1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3777 -0.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3776 -2.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3776 -3.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2436 -3.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2436 -4.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3737 -0.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3321 1.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8104 -0.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8492 1.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1397 -1.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 -1.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6722 2.3037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4597 2.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9169 -1.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 -1.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6207 0.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7386 1.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8698 1.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 1.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 1.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 0.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0299 -2.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 -3.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0324 -3.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5800 0.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7830 0.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1129 3.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9628 4.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0989 4.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4645 4.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 5.2963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 4.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1178 -3.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8070 -3.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2650 -2.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3810 -1.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1781 -1.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6456 0.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9010 -1.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2996 -2.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6877 -0.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9146 0.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0677 0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9882 -2.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5897 -1.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7670 -3.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1656 -3.8110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8542 -3.8361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4557 -3.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6236 -4.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2436 -5.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8636 -4.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 32 2 0 0 0 0 3 40 1 0 0 0 0 3 46 1 0 0 0 0 4 40 2 0 0 0 0 5 43 2 0 0 0 0 6 44 1 0 0 0 0 6 47 1 0 0 0 0 7 44 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 31 1 6 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 28 2 0 0 0 0 15 36 1 1 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 27 2 0 0 0 0 19 21 1 0 0 0 0 19 30 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 6 0 0 0 20 58 1 0 0 0 0 21 37 1 1 0 0 0 21 59 1 0 0 0 0 22 27 1 0 0 0 0 22 29 2 0 0 0 0 23 28 1 0 0 0 0 23 33 2 0 0 0 0 24 30 1 0 0 0 0 24 34 2 0 0 0 0 25 29 1 0 0 0 0 25 32 1 0 0 0 0 26 32 1 0 0 0 0 26 40 1 1 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 29 38 1 0 0 0 0 30 63 1 0 0 0 0 31 39 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 33 34 1 0 0 0 0 33 41 1 0 0 0 0 34 43 1 0 0 0 0 35 42 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 44 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 43 45 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 46 90 1 0 0 0 0 47 48 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 48 49 2 0 0 0 0 48 93 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 50 94 1 0 0 0 0 50 95 1 0 0 0 0 51 96 1 0 0 0 0 51 97 1 0 0 0 0 51 98 1 0 0 0 0 52 53 1 0 0 0 0 52 99 1 0 0 0 0 52100 1 0 0 0 0 53 54 1 0 0 0 0 53101 1 0 0 0 0 53102 1 0 0 0 0 54 55 1 0 0 0 0 54103 1 0 0 0 0 54104 1 0 0 0 0 55105 1 0 0 0 0 55106 1 0 0 0 0 55107 1 0 0 0 0 M CHG 5 1 2 8 -1 9 -1 10 -1 11 -1 M END > 70680583 > 1 > 1660 > 10 > 0 > 14 > AAADcfB/uAAAACAAAAAAAAAAAAAAAeLFixAgQIEAAAAWAECB4AAAHgAAAAAADQyhngICiJIIFACoA6TyTACCgCAlAiAAmCEwRNgIJH7ItZGGEYhk4ADI6Ue82fOegAAAAAAAAAAAAAAAAAAAASAAAQAAAA== > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-22-[3-[(Z)-3-methyloct-2-enoxy]-3-oxo-propyl]-4-oxo-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;(1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-22-[3-[(Z)-3-methyloct-2-enoxy]-3-oxopropyl]-4-oxo-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylic acid methyl ester > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-22-[3-[(Z)-3-methyloct-2-enoxy]-3-oxopropyl]-4-oxo-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-22-[3-[(Z)-3-methyloct-2-enoxy]-3-oxopropyl]-4-oxo-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-ethanoyl-11-ethyl-12,17,21,26-tetramethyl-22-[3-[(Z)-3-methyloct-2-enoxy]-3-oxidanylidene-propyl]-4-oxidanylidene-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;(1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-11-ethyl-4-keto-22-[3-keto-3-[(Z)-3-methyloct-2-enoxy]propyl]-12,17,21,26-tetramethyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylic acid methyl ester > InChI=1S/C44H54N4O6.Mg/c1-10-12-13-14-22(3)17-18-54-36(50)16-15-29-24(5)31-19-32-25(6)37(27(8)49)35(46-32)21-30-23(4)28(11-2)34(45-30)20-33-26(7)38-42(48-33)39(41(29)47-31)40(43(38)51)44(52)53-9;/h17,19-21,23-24,28-29,40H,10-16,18H2,1-9H3,(H2-2,45,46,47,48,49,51);/q-2;+2/p-2/b22-17-,31-19-,34-20-;/t23-,24+,28-,29+,40-;/m1./s1 > GQXWSGDBNGCICU-RDBBJEPRSA-L > 756.3737271 > C44H52MgN4O6-2 > 757.2 > CCCCCC(=CCOC(=O)CCC1C(C2=CC3=C(C(=C([N-]3)C=C4C(C(C(=CC5=C(C6=C([N-]5)C(=C1[N-]2)C(C6=O)C(=O)OC)C)[N-]4)CC)C)C(=O)C)C)C)C.[Mg+2] > CCCCC/C(=C\COC(=O)CC[C@H]\1[C@@H](/C/2=C/C3=C(C(=C([N-]3)/C=C\4/[C@@H]([C@H](/C(=C/C5=C(C6=C([N-]5)/C(=C1\[N-]2)/[C@H](C6=O)C(=O)OC)C)/[N-]4)CC)C)C(=O)C)C)C)/C.[Mg+2] > 90.7 > 756.3737271 > -2 > 55 > 5 > 0 > 5 > 0 > 0 > 2 > -1 > 1 10 7 1 11 7 1 8 7 1 9 7 > 1 5 255 > 10 16 8 10 22 8 11 23 8 11 24 8 13 31 6 15 36 5 16 25 8 20 35 6 21 37 5 22 29 8 23 33 8 24 34 8 25 29 8 26 40 5 33 34 8 $$$$