71296898 -OEChem-05052416282D 123128 0 1 0 0 0 0 0999 V2000 13.5835 -3.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7971 -2.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5521 -0.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9592 1.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3448 -1.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3043 -4.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4047 3.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6546 1.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5255 3.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0032 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.7067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 3.5114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 1.9020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7990 4.1360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 3.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 2.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2701 -1.3813 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2536 -1.2004 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8958 1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9351 -2.3235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8211 -0.3770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 3.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9516 -2.5045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8958 3.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 2.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3917 0.5262 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8798 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 3.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3279 -1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3841 -3.3279 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7778 0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3949 0.6059 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8179 -0.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5214 -0.9725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6719 1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1068 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6799 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4080 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3873 -3.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8274 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9656 1.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -1.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5479 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5639 -2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6224 3.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7645 -4.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9688 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5426 2.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4012 -4.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5394 2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7067 -4.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 3.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 4.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 1.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 4.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 3.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 1.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 4.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 2.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 2.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3195 -0.7633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8735 -1.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7273 -2.9077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1729 0.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1970 -1.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1255 1.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5356 -0.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7437 -0.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1202 -1.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9682 -3.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7769 0.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7684 -1.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4359 -0.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8673 0.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 4.1288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 4.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 4.7488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9284 -1.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0710 -1.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8876 -2.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8484 4.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4163 -2.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1795 -3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3169 0.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4756 -0.7280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3379 -0.5693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3174 2.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3555 -1.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 -2.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 -2.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5772 1.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2399 -0.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0860 -0.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8558 0.6997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0448 -3.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1249 2.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6169 1.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1350 -4.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8413 -5.0203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6675 -5.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8913 3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4989 -4.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2908 -4.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9144 -3.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 1.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6690 1.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5142 1.2656 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 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 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 > 71296898 > 1 > 1870 > 14 > 5 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASIAAAA8QIAAAAAAAEABAAAAHgAQCAAADRzhmAYDDoPABgCoA6XyXAKCCAAkIAAIiAHsCNicNzaG9T+meWCl9BeMucf4//7u4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [(7S)-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)-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)-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)-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)-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)-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-/m0/s1 > ATEBXHFBFRCZMA-BNNCVWCESA-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 > 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 > 206 > 846.44150881 > 0 > 61 > 1 > 8 > 0 > 3 > 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 5 42 46 8 48 53 1 50 56 1 57 59 1 37 6 3 $$$$