44373525 -OEChem-04262419332D 74 77 0 1 0 0 0 0 0999 V2000 2.0000 2.1218 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 0.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 3.6289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8315 0.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5839 -0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 2.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5871 0.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1096 -0.7664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.0943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6381 0.5596 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5320 2.0943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3359 -0.4307 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 0.5943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8646 0.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 2.6290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4786 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8981 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4957 -1.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8640 -0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7300 -0.0305 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7300 1.7015 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6228 1.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3702 -2.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6384 -2.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2300 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6613 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7297 1.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 2.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3874 -3.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6556 -3.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 -3.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0622 0.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 2.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3766 -1.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 1.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 2.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2479 -1.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2566 -0.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8699 -1.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 1.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3322 0.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 0.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5206 -0.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 3.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 3.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1164 3.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0522 1.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9449 -1.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6524 2.9283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8080 3.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0282 2.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9018 -2.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -2.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8872 -0.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2387 0.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4354 0.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 1.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3495 1.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7448 2.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9271 1.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2270 2.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 2.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 -3.7310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -3.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5692 -1.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5407 -4.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 16 1 0 0 0 0 3 54 1 0 0 0 0 4 15 2 0 0 0 0 5 27 1 0 0 0 0 5 73 1 0 0 0 0 6 29 2 0 0 0 0 7 32 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 11 40 1 0 0 0 0 12 18 1 0 0 0 0 12 41 1 0 0 0 0 13 21 1 0 0 0 0 13 42 1 0 0 0 0 14 17 2 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 24 2 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 25 2 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 32 1 0 0 0 0 27 33 1 0 0 0 0 28 32 1 0 0 0 0 28 34 1 0 0 0 0 28 59 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 30 60 1 0 0 0 0 31 37 2 0 0 0 0 31 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 38 2 0 0 0 0 36 71 1 0 0 0 0 37 38 1 0 0 0 0 37 72 1 0 0 0 0 38 74 1 0 0 0 0 M END > 44373525 > 1 > 1050 > 6 > 3 > 5 > AAADcfB6OAAAAgAAAAAAAAAAAAAAAWAAAAAwQAAAAAAAAEABAAAAHgAwCAAAD3zjmAYyCILABgCIAqHSGAICAAAgAAAIiIFIAIgINDaAsRGGcAAm9gCIuAf+2OOPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(3Z,9E)-16-benzyl-5,12-dihydroxy-13-(iodomethyl)-5,7,14-trimethyl-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] acetate > acetic acid [(3Z,9E)-5,12-dihydroxy-13-(iodomethyl)-5,7,14-trimethyl-6,18-dioxo-16-(phenylmethyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] ester > [(3Z,9E)-16-benzyl-5,12-dihydroxy-13-(iodomethyl)-5,7,14-trimethyl-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] acetate > [(3Z,9E)-16-benzyl-5,12-dihydroxy-13-(iodomethyl)-5,7,14-trimethyl-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] acetate > [(3Z,9E)-13-(iodanylmethyl)-5,7,14-trimethyl-5,12-bis(oxidanyl)-6,18-bis(oxidanylidene)-16-(phenylmethyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] ethanoate > acetic acid [(3Z,9E)-16-benzyl-5,12-dihydroxy-13-(iodomethyl)-6,18-diketo-5,7,14-trimethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] ester > InChI=1S/C30H36INO6/c1-17-9-8-12-22-26(34)21(16-31)18(2)25-23(15-20-10-6-5-7-11-20)32-28(36)30(22,25)24(38-19(3)33)13-14-29(4,37)27(17)35/h5-8,10-14,17,22-26,34,37H,9,15-16H2,1-4H3,(H,32,36)/b12-8+,14-13- > GXBTXQSJIVYYOL-JUDANRDHSA-N > 2.8 > 633.15874 > C30H36INO6 > 633.5 > CC1CC=CC2C(C(=C(C3C2(C(C=CC(C1=O)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)CI)O > CC1C/C=C/C2C(C(=C(C3C2(C(/C=C\C(C1=O)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)CI)O > 113 > 633.15874 > 0 > 38 > 0 > 8 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 3 11 19 3 12 18 3 13 2 3 23 30 8 23 31 8 28 34 3 16 3 3 30 36 8 31 37 8 36 38 8 37 38 8 27 5 3 9 11 3 $$$$