45356259 -OEChem-05052423022D 123128 0 1 0 0 0 0 0999 V2000 3.9102 -2.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 -0.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6797 -3.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7459 -3.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5555 -3.6515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7555 1.1603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6597 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2575 -2.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2313 3.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1837 -2.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6276 0.1603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 0.9651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -0.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2001 1.7278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6276 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1276 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1276 -0.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1276 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1276 -0.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1574 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1574 -0.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 -0.8169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2463 -0.2494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0234 -0.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -1.8137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3261 0.7474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9848 0.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9868 -1.8935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0234 1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8895 -0.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2293 1.1767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0074 -1.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8895 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0614 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6352 -2.6547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9054 -2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 2.1736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6776 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6490 -3.5189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7995 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2344 -2.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8075 -1.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9382 -1.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6187 -2.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3058 2.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9157 -4.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6755 -2.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4421 -3.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2798 2.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 -3.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8733 2.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6314 3.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3788 -4.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8701 2.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9273 -4.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7111 4.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7102 1.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0199 1.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0199 -1.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7102 -0.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2353 1.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 1.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -0.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2353 -1.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0186 1.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0735 -0.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 -0.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4718 -1.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0386 -0.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -2.0799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 0.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5863 1.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 -1.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7012 1.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3753 -0.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 0.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7474 0.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -3.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7985 2.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1496 1.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 1.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2057 1.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 1.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 0.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9094 1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5389 2.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 2.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1291 -2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5281 -1.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7474 -0.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 1.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 -1.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 -1.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0068 3.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 3.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7707 3.2198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 1.5338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3182 -4.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0811 -5.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5133 -4.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6114 0.4365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3675 -2.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2136 -2.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9834 -1.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9611 -2.7021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2001 -0.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6071 3.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 -4.7295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8894 -4.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7307 -3.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 2.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3092 -4.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8778 -4.8547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 -4.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 4.4332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7606 5.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0931 4.5321 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 6 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 6 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 6 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 1 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 6 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 1 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 0 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 > 45356259 > 1 > 1870 > 14 > 5 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASIAAAA8QIAAAAAAAEABAAAAHgAQCAAADRzhmAYDDoPABgCoA6XyXAKCCAAkIAAIiAHsCNicNzaG9T+meWCl9BeMucf4//7u4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-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,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-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,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-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,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-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,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-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,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-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-/m0/s1 > ATEBXHFBFRCZMA-RHJOOMPHSA-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)(O/C=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 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 27 1 5 25 2 6 24 36 5 26 32 8 26 34 8 28 40 6 30 47 6 32 42 8 34 38 8 38 46 8 39 49 5 33 4 6 41 51 5 42 46 8 37 6 6 $$$$