50989074 -OEChem-04252403582D 123128 0 1 0 0 0 0 0999 V2000 9.4590 -2.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2082 -0.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -3.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9477 2.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1302 -3.8419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8302 -3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1206 1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2164 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 -1.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6931 3.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8852 -1.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2485 0.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6649 1.0714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6649 -0.5381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 1.8342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2485 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -0.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7485 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7485 -0.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7186 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7186 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2485 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5400 -1.1761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2050 -0.2339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8526 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8915 -1.9374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8534 0.5273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7485 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9080 -1.7564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8526 1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9866 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5184 1.4696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8687 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9866 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5368 -1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 -2.5177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9706 -2.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5349 1.6505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8502 0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -3.4126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0766 -0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6881 1.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2485 1.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0686 -1.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0049 -1.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2761 -2.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7441 0.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9674 2.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9603 -4.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2006 -2.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 2.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4558 -2.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9706 2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4196 3.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3977 -4.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4031 3.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 -3.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2104 4.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1658 1.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8561 1.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8561 -1.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1658 -0.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6408 1.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3311 1.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3311 -0.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6408 -1.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8575 1.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8311 0.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1408 -0.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8919 -1.6866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6450 0.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7266 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2886 0.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1470 0.6578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1742 -1.1965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0822 1.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4874 -0.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1548 -1.0469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5863 -1.7144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 -3.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9450 1.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8008 1.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4683 0.6566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8997 -0.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4760 2.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2707 1.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9002 0.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7115 1.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 2.5357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7854 2.3087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7387 -1.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 -1.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2711 -0.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2359 1.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6482 -0.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1464 -1.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3504 0.8023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8738 0.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 0.5429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2336 3.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5579 -4.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 -4.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -4.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5959 2.8832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5085 -2.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -2.5864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8927 -1.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5226 -2.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6759 -0.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7044 1.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9082 -3.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7496 -4.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8872 -4.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7401 3.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5338 -3.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3752 -4.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5128 -3.8562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 4.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0807 4.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 4.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27 1 1 6 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 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 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 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 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 6 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 3 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 > 50989074 > 1 > 1870 > 14 > 5 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASIAAAA8QIAAAAAAAEABAAAAHgAQCAAADRzhmAYDDoPABgCoA6XyXAKCCAAkIAAIiAHsCNicNzaG9T+meWCl9BeMucf4//7u4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [(7S,9Z,11S,12S,13S,14R,15R,16R,17S,18S,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,9Z,11S,12S,13S,14R,15R,16R,17S,18S,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,9Z,11S,12S,13S,14R,15R,16R,17S,18S,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,9Z,11S,12S,13S,14R,15R,16R,17S,18S,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,9Z,11S,12S,13S,14R,15R,16R,17S,18S,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,9Z,11S,12S,13S,14R,15R,16R,17S,18S,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-/m0/s1 > ATEBXHFBFRCZMA-DQLVEMOXSA-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]1C=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 > 2 > 1 > 0 > 1 > -1 > 1 5 255 > 27 1 6 25 2 6 24 36 5 26 32 8 26 34 8 28 40 5 30 47 6 32 42 8 34 38 8 38 46 8 39 49 5 33 4 6 41 51 6 42 46 8 50 56 1 37 6 5 $$$$