21944003 -OEChem-04252416302D 123128 0 1 0 0 0 0 0999 V2000 3.6514 -2.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8694 0.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5521 -3.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 2.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6183 -3.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8067 -2.5879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 1.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5321 0.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3676 -1.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6528 3.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2252 -1.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.5789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 1.3836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 -0.2258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0725 2.1464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 -0.9527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9054 -0.0105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8958 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2188 -1.7140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2570 0.7508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2023 -1.5330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8958 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 1.7476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8798 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5736 -0.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8508 -2.2942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7778 -1.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 2.1769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2583 0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5214 -3.1003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6719 -0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1068 -2.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6799 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1055 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 -3.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2234 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 3.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 -4.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5479 -1.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5944 -3.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8915 3.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6545 -2.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2228 3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9493 3.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0639 -3.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0462 3.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 -3.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 4.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 1.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 2.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 -0.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 -0.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 2.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 1.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 -0.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -0.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 1.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 0.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 -0.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 -1.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1716 -0.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4851 -2.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8832 0.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 1.9818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2518 -0.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7526 1.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -0.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9555 -0.8235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5241 -1.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3712 -1.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 1.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 1.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6391 0.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2899 0.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 2.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 2.8479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 2.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3717 -1.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6654 -0.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8393 -0.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 1.8094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3045 0.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 -3.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3355 1.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8331 2.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1112 2.9676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8091 3.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 -4.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9535 -4.6617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3857 -3.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2103 2.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2399 -2.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0860 -2.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8558 -1.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4591 -4.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0726 -0.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2722 4.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4596 -3.8474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2026 -4.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 -3.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 2.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5766 -2.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -3.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5976 -3.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5175 4.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8666 5.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2791 4.4320 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 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 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 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 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 > 21944003 > 1 > 1870 > 14 > 5 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASIAAAA8QIAAAAAAAEABAAAAHgAQCAAADRzhmAYDDoPABgCoA6XyXAKCCAAkIAAIiAHsCNicNzaG9T+meWCl9BeMucf4//7u4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [(7S,9Z,11S,12R,13R,14S,15R,16R,17S,18S,19Z,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,13R,14S,15R,16R,17S,18S,19Z,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,13R,14S,15R,16R,17S,18S,19Z,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,13R,14S,15R,16R,17S,18S,19Z,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,13R,14S,15R,16R,17S,18S,19Z,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,13R,14S,15R,16R,17S,18S,19Z,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-HHBHPFAMSA-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 6 25 2 5 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 6 33 4 5 41 51 5 42 46 8 37 6 5 $$$$