66509121 -OEChem-04262405202D 123128 0 1 0 0 0 0 0999 V2000 13.4271 -3.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3425 -0.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5521 -0.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4673 0.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3448 -1.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6228 -1.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 4.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3058 2.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 0.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4132 3.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1086 -4.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 3.1707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 3.9754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 2.3659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7990 4.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 3.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 4.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 3.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 2.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5977 -1.7698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3590 -1.1214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8958 2.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7787 -2.7533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7105 -0.3601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 4.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7952 -2.9343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8958 4.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 2.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4718 0.2883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8798 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 3.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7743 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9718 -2.3668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7778 0.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2908 1.2718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7683 -0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5214 -0.5086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6719 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1068 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6799 1.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3400 -3.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 -2.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5425 2.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3486 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -1.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5479 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2453 -2.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6224 4.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0921 -4.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9193 2.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6059 4.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6857 -1.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2543 3.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7406 -5.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9409 5.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 4.2488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 4.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 1.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 2.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 4.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 4.2488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 2.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 1.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 4.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 2.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 2.5601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0378 -2.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7610 -1.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3987 -2.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1759 -0.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 4.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1322 -3.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9823 -0.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1262 -0.6918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2638 -0.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4225 -1.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1795 -1.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8508 1.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9760 0.5591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1842 0.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5606 -0.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 4.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 4.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 5.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 5.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 -3.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0578 -4.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8921 -4.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8484 5.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7445 -1.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0192 -3.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1425 2.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6985 2.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9424 2.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9332 1.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3555 -0.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 -1.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 -1.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7251 0.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2399 0.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0860 0.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8558 1.1637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7216 -2.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0870 3.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3482 2.2687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4693 -1.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1047 -1.9950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9021 -2.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8641 3.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2686 -5.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1426 -5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2125 -4.8160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5251 4.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1486 5.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3568 5.3634 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 6 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 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 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 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 > 66509121 > 1 > 1870 > 14 > 5 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASIAAAA8QIAAAAAAAEABAAAAHgAQCAAADRzhmAYDDoPABgCoA6XyXAKCCAAkIAAIiAHsCNicNzaG9T+meWCl9BeMucf4//7u4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [(7S,9Z,11R,12S,13S,14R,15R,16R,17S,18S,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 [(7S,9Z,11R,12S,13S,14R,15R,16R,17S,18S,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 > [(7S,9Z,11R,12S,13S,14R,15R,16R,17S,18S,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 > [(7S,9Z,11R,12S,13S,14R,15R,16R,17S,18S,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 > [(7S,9Z,11R,12S,13S,14R,15R,16R,17S,18S,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 [(7S,9Z,11R,12S,13S,14R,15R,16R,17S,18S,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-/t23-,25-,26+,27+,30+,37-,38+,41+,45-/m0/s1 > ATEBXHFBFRCZMA-JZBJFNONSA-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 6 26 32 8 26 34 8 28 40 6 30 47 5 32 42 8 34 38 8 38 46 8 39 49 6 33 4 6 41 51 5 42 46 8 37 6 5 $$$$