73265256 -OEChem-03292407052D 123128 0 1 0 0 0 0 0999 V2000 12.8553 -3.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9959 -1.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5521 -0.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7268 1.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3448 -1.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0490 -4.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4047 4.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6546 1.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 0.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5255 4.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5818 -3.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.7720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 3.5767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 1.9673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7990 4.2013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 3.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2701 -1.3160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2536 -1.1351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8958 1.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9351 -2.2582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8211 -0.3117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 3.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9516 -2.4392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8958 3.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3917 0.5914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8798 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 3.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3023 -1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3841 -3.2626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7778 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3949 0.6712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8046 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5214 -0.9072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6719 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1068 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6799 0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9737 -2.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3873 -3.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4114 0.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9656 1.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -1.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5479 0.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5639 -2.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6224 3.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6787 -3.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9688 1.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5426 2.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0656 -4.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5394 2.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5989 -4.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 3.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 4.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 1.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 1.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 4.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 3.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 1.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 1.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 4.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 2.5599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 2.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0039 -0.7561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2311 -1.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4455 -2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2990 -0.7067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7607 -1.8493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0015 0.7036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7022 -0.9084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 -1.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7861 -3.7346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1872 0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9167 -0.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4143 -0.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6924 0.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 4.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 5.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 4.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1034 -1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3674 -2.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8440 -2.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8484 4.8194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5858 -1.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1795 -3.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2992 1.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8017 0.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5236 -0.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3174 2.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3555 -1.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 -1.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 -2.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3365 1.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2399 -0.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0860 -0.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8558 0.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0448 -2.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1249 2.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6169 1.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9534 -3.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4558 -4.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1778 -4.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8913 3.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9809 -4.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5495 -5.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2169 -4.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 1.9429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6690 1.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5142 1.3308 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 1 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 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 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 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 3 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 > 73265256 > 1 > 1870 > 14 > 5 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASIAAAA8QIAAAAAAAEABAAAAHgAQCAAADRzhmAYDDoPABgCoA6XyXAKCCAAkIAAIiAHsCNicNzaG9T+meWCl9BeMucf4//7u4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [(7R,11S,12R,13R,14R,15R,16R,17R,18R)-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 [(7R,11S,12R,13R,14R,15R,16R,17R,18R)-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 > [(7R,11S,12R,13R,14R,15R,16R,17R,18R)-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 > [(7R,11S,12R,13R,14R,15R,16R,17R,18R)-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 > [(7R,11S,12R,13R,14R,15R,16R,17R,18R)-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 [(7R,11S,12R,13R,14R,15R,16R,17R,18R)-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)/t23-,25-,26-,27-,30+,37-,38-,41+,45-/m1/s1 > ATEBXHFBFRCZMA-FNNOMZBXSA-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=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=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 > 0 > 3 > 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 5 32 42 8 34 38 8 38 46 8 39 49 6 33 4 5 41 51 6 42 46 8 48 53 1 50 56 1 57 59 1 37 6 5 $$$$