71775000 -OEChem-05102422272D 123128 0 1 0 0 0 0 0999 V2000 13.6021 -3.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3558 -1.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5521 -0.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4140 -0.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3448 -1.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0516 -1.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 4.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3058 2.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4132 2.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6192 -4.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 3.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 3.8089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 2.1995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7990 4.4335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 2.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5977 -1.9363 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3590 -1.2878 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8958 2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7787 -2.9198 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7105 -0.5266 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 3.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7952 -3.1007 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8958 4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4718 0.1219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8798 0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6555 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9718 -2.5332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7778 0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2908 1.1054 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7137 -0.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5214 -0.6750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6719 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1068 0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6799 0.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5860 -4.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 -2.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0521 1.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3486 1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5479 0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2453 -2.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6224 3.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5223 -4.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9193 2.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6059 4.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2282 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2543 3.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3457 -5.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9409 4.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 4.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 4.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 1.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 1.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 4.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 4.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 1.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 1.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 4.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 2.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 2.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4855 -1.3265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5498 -1.8777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6490 -3.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5197 0.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2272 -3.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5840 -0.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8632 -1.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0714 -1.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4478 -2.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5318 -2.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8750 0.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7632 0.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0957 -0.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6643 -1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 4.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 5.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 5.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 -3.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4563 -4.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1923 -4.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8484 5.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6220 -1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0192 -3.5806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4541 1.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5241 2.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6500 2.2258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9332 0.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3555 -0.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 -1.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 -1.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8860 0.1889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2399 -0.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0860 0.1512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8558 0.9972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7216 -2.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0870 3.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3482 2.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5800 -0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7177 -0.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8763 -1.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8641 3.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9939 -5.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8562 -5.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6975 -4.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5251 4.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1486 5.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3568 5.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 55 1 0 0 0 0 2 25 1 0 0 0 0 2 98 1 0 0 0 0 3 38 1 0 0 0 0 3 41 1 0 0 0 0 4 33 1 0 0 0 0 4107 1 0 0 0 0 5 41 1 0 0 0 0 5 53 1 0 0 0 0 6 37 1 0 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 0 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 0 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 0 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 0 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 0 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 > 71775000 > 1 > 1870 > 14 > 5 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASIAAAA8QIAAAAAAAEABAAAAHgAQCAAADRzhmAYDDoPABgCoA6XyXAKCCAAkIAAIiAHsCNicNzaG9T+meWCl9BeMucf4//7u4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [(9Z,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 [(9Z,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 > [(9Z,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 > [(9Z,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 > [(9Z,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 [(9Z,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- > ATEBXHFBFRCZMA-UBTKDPHISA-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 > CC1/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(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)\C > 206 > 846.44150881 > 0 > 61 > 0 > 9 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 27 1 3 25 2 3 24 36 3 26 32 8 26 34 8 28 40 3 30 47 3 32 42 8 34 38 8 38 46 8 39 49 3 33 4 3 41 51 3 42 46 8 37 6 3 $$$$