44182022 -OEChem-05062417322D 123128 0 1 0 0 0 0 0999 V2000 3.6320 -2.8796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4244 -0.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6622 -3.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 2.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7284 -3.8419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2639 -3.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7380 1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6421 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9135 -1.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1654 3.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 0.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1937 1.0714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1937 -0.5381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1825 1.8342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1101 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1101 -0.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1101 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1101 -0.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1399 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6101 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3185 -1.1761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6536 -0.2339 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0059 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 -1.9374 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0051 0.5273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1101 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9505 -1.7564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0059 1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3402 1.4696 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9899 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -1.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5989 -2.5177 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8879 -2.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 1.6505 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0216 0.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 -3.4126 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7820 -0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2168 -2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4521 2.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 -1.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -1.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5824 -2.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2005 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8911 2.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8982 -4.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6579 -2.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4058 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2623 2.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6484 -3.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8879 2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4389 3.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9124 -4.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 3.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3134 -4.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6481 4.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6927 1.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0024 1.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0024 -1.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6927 -0.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2177 1.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5275 1.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5275 -0.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2177 -1.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0011 1.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0275 0.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7177 -0.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9165 -0.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 0.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 -2.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7974 -0.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7277 1.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8383 -1.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 -0.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 -1.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4472 -1.9668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9892 -2.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9031 1.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 0.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 0.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1338 -0.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 1.7527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 1.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0347 1.8603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8695 2.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0462 -2.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5437 -1.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8218 -0.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6226 1.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9524 -1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 -1.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5852 0.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 0.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8158 0.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 3.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3006 -4.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0635 -4.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4957 -4.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0819 2.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3500 -2.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1961 -2.5864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9659 -1.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3359 -2.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1826 -0.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1541 1.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4404 -4.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3144 -4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3843 -3.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1184 3.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -3.7950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1057 -4.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8976 -4.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2544 4.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7778 4.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0418 4.5060 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 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 > 44182022 > 1 > 1870 > 14 > 5 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASIAAAA8QIAAAAAAAEABAAAAHgAQCAAADRzhmAYDDoPABgCoA6XyXAKCCAAkIAAIiAHsCNicNzaG9T+meWCl9BeMucf4//7u4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [(9Z,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,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,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,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,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,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-DBFKMFCCSA-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=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 > 2 > 1 > 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 50 56 1 37 6 3 $$$$