57417185 -OEChem-05142405552D 123128 0 1 0 0 0 0 0999 V2000 3.3036 -1.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2164 0.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7326 -3.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8664 0.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7988 -3.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0783 -3.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8084 1.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7126 -0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3104 -2.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2842 3.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 -3.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6805 0.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.5389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2530 1.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6805 0.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1805 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1805 -0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 -0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2103 0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2103 -0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6805 0.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0258 -0.5619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2024 0.0056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0764 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 -1.5454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2822 1.0024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1805 -0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 -1.8804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0764 1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9424 -0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1854 1.4317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0603 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9424 0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -0.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3299 -2.8639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9583 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 2.3739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9332 1.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7019 -3.4134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8524 -0.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2872 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6806 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8604 -1.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2721 -3.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 3.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 2.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9686 -4.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7283 -2.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9206 -3.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3327 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 -2.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3657 2.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6843 3.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 -4.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7008 3.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3207 -3.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0193 4.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7631 1.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0728 1.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0728 -1.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7631 -0.8123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2882 1.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5979 1.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5979 -0.8123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2882 -1.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0715 1.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7882 0.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0979 0.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1555 0.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6214 -0.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1574 -2.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 1.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7174 -0.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5008 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 1.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3108 -0.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7099 -0.0172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 -3.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1183 2.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5142 2.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 2.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 1.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 -0.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6581 -1.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4528 -1.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 -1.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3706 -2.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2175 -1.7762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0963 -2.5782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7638 -2.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1952 -1.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6930 1.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 -2.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2981 3.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7899 3.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 1.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3711 -4.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1340 -4.9747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5662 -4.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4591 0.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4204 -2.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2665 -2.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0363 -1.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 -4.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2530 -0.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 2.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3556 -4.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2324 -4.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2258 -4.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 3.8824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 -2.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7608 -3.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5869 -3.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6035 4.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2270 5.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4351 4.7413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27 1 1 1 0 0 0 1 55 1 0 0 0 0 25 2 1 1 0 0 0 2 98 1 0 0 0 0 3 38 1 0 0 0 0 3 41 1 0 0 0 0 33 4 1 1 0 0 0 4107 1 0 0 0 0 5 41 1 0 0 0 0 5 53 1 0 0 0 0 37 6 1 1 0 0 0 6 58 1 0 0 0 0 7 35 2 0 0 0 0 8 42 1 0 0 0 0 8112 1 0 0 0 0 9 43 2 0 0 0 0 10 54 2 0 0 0 0 11 55 2 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 70 1 0 0 0 0 14 16 1 0 0 0 0 14 22 2 0 0 0 0 15 31 1 0 0 0 0 15 54 1 0 0 0 0 15 97 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 18 20 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 21 22 1 0 0 0 0 21 31 2 0 0 0 0 22 26 1 0 0 0 0 23 29 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 36 1 6 0 0 0 24 73 1 0 0 0 0 25 28 1 0 0 0 0 25 74 1 0 0 0 0 26 32 2 0 0 0 0 26 34 1 0 0 0 0 27 30 1 0 0 0 0 27 75 1 0 0 0 0 28 33 1 0 0 0 0 28 40 1 1 0 0 0 28 76 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 77 1 0 0 0 0 30 37 1 0 0 0 0 30 47 1 6 0 0 0 30 78 1 0 0 0 0 31 35 1 0 0 0 0 32 35 1 0 0 0 0 32 42 1 0 0 0 0 33 39 1 0 0 0 0 33 79 1 0 0 0 0 34 38 2 0 0 0 0 34 43 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 48 1 0 0 0 0 37 83 1 0 0 0 0 38 46 1 0 0 0 0 39 49 1 6 0 0 0 39 50 1 0 0 0 0 39 84 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 40 87 1 0 0 0 0 41 43 1 0 0 0 0 41 51 1 1 0 0 0 42 46 2 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 45 91 1 0 0 0 0 45 92 1 0 0 0 0 45 93 1 0 0 0 0 46 52 1 0 0 0 0 47 94 1 0 0 0 0 47 95 1 0 0 0 0 47 96 1 0 0 0 0 48 53 2 3 0 0 0 48 99 1 0 0 0 0 49100 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 50 56 2 0 0 0 0 50103 1 0 0 0 0 51104 1 0 0 0 0 51105 1 0 0 0 0 51106 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 52110 1 0 0 0 0 53111 1 0 0 0 0 54 57 1 0 0 0 0 55 60 1 0 0 0 0 56 59 1 0 0 0 0 56113 1 0 0 0 0 57 59 2 0 0 0 0 57 61 1 0 0 0 0 58114 1 0 0 0 0 58115 1 0 0 0 0 58116 1 0 0 0 0 59117 1 0 0 0 0 60118 1 0 0 0 0 60119 1 0 0 0 0 60120 1 0 0 0 0 61121 1 0 0 0 0 61122 1 0 0 0 0 61123 1 0 0 0 0 M END > 57417185 > 1 > 1870 > 14 > 5 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASIAAAA8QIAAAAAAAEABAAAAHgAQCAAADRzhmAYDDoPABgCoA6XyXAKCCAAkIAAIiAHsCNicNzaG9T+meWCl9BeMucf4//7u4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [(7S,11R,12R,13S,14S,15S,16S,17R,18R,19Z,21Z)-2,15,17-trihydroxy-1'-isobutyl-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,32-trioxo-spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] acetate > acetic acid [(7S,11R,12R,13S,14S,15S,16S,17R,18R,19Z,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-13-spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]yl] ester > [(7S,11R,12R,13S,14S,15S,16S,17R,18R,19Z,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] acetate > [(7S,11R,12R,13S,14S,15S,16S,17R,18R,19Z,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] acetate > [(7S,11R,12R,13S,14S,15S,16S,17R,18R,19Z,21Z)-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-2,15,17-tris(oxidanyl)-6,23,32-tris(oxidanylidene)spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] ethanoate > acetic acid [(7S,11R,12R,13S,14S,15S,16S,17R,18R,19Z,21Z)-2,15,17-trihydroxy-1'-isobutyl-6,23,32-triketo-11-methoxy-3,7,12,14,16,18,22-heptamethyl-spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] ester > InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12-,20-15?,24-14-/t23-,25-,26+,27+,30-,37-,38+,41-,45+/m1/s1 > ATEBXHFBFRCZMA-OOTFJKSLSA-N > 6.3 > 846.44150881 > C46H62N4O11 > 847.0 > CC1C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C(C2=O)C(=C(C6=C5C(=O)C(O6)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)C > C[C@@H]1/C=C\C=C(/C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C(C2=O)C(=C(C6=C5C(=O)[C@](O6)(OC=C[C@H]([C@H]([C@H]([C@H]([C@H]([C@H]([C@@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)\C > 206 > 846.44150881 > 0 > 61 > 9 > 0 > 2 > 1 > 0 > 1 > -1 > 1 5 255 > 27 1 5 25 2 5 24 36 6 26 32 8 26 34 8 28 40 5 30 47 6 32 42 8 34 38 8 38 46 8 39 49 6 33 4 5 41 51 5 42 46 8 48 53 1 37 6 5 $$$$