10254192 -OEChem-04252412222D 74 77 0 1 0 0 0 0 0999 V2000 9.5256 3.8961 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.7318 2.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.7221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.7221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3194 4.8746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9473 1.5826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 0.2779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5309 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -0.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 2.5331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 2.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 3.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 3.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5041 4.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.2221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -4.2221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -4.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8148 5.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1719 3.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7933 5.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1504 3.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4611 4.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 1.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 -0.5673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 0.3632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 1.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -0.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4846 -0.3361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 2.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 2.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 2.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 2.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 2.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 1.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 1.1702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -0.3047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 2.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8502 2.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0515 3.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 3.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1286 2.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.5321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5265 4.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 3.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -3.3298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -2.6395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -2.6395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -3.3298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.8421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.8421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7300 5.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -5.2590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -5.2590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4007 5.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9793 2.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9859 5.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5645 3.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0678 4.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 2 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 26 3 1 1 0 0 0 3 70 1 0 0 0 0 27 4 1 6 0 0 0 4 71 1 0 0 0 0 5 65 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 1 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 34 1 6 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 35 1 6 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 15 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 6 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 20 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 2 0 0 0 0 21 58 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 26 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 27 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 28 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 64 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 31 1 0 0 0 0 29 68 1 0 0 0 0 30 32 2 0 0 0 0 30 69 1 0 0 0 0 31 33 2 0 0 0 0 31 72 1 0 0 0 0 32 33 1 0 0 0 0 32 73 1 0 0 0 0 33 74 1 0 0 0 0 M END > 10254192 > 1 > 839 > 4 > 3 > 6 > AAADcfB6MABAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGABAAAAGgQQSAAADxSk0AKyAYAAAgqAAiBCAEBCAAAgCBAIiBgAAIgIMCKgERCAYAAlwAAoiAeA4MQPgAAAAAAAAAAAAAAQACAAAQAACAAAAA== > (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(1R)-1-methyl-3-(phenylsulfonimidoyl)propyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol > (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol > (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol > (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol > (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol > (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(1R)-1-methyl-3-(phenylsulfonimidoyl)propyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol > InChI=1S/C28H41NO3S/c1-20(14-16-33(29,32)25-8-4-3-5-9-25)26-12-13-27-22(7-6-15-28(26,27)2)11-10-21-17-23(30)19-24(31)18-21/h3-5,8-11,20,23-24,26-27,29-31H,6-7,12-19H2,1-2H3/b22-11+/t20-,23-,24-,26-,27+,28-,33?/m1/s1 > HHSUQUYVWMTWNT-CAGZZCQBSA-N > 6.6 > 471.28071534 > C28H41NO3S > 471.7 > CC(CCS(=N)(=O)C1=CC=CC=C1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4)O)O)C > C[C@H](CCS(=N)(=O)C1=CC=CC=C1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C[C@@H](C4)O)O)C > 89.8 > 471.28071534 > 0 > 33 > 6 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 20 3 12 18 6 23 29 8 23 30 8 29 31 8 26 3 5 30 32 8 31 33 8 32 33 8 27 4 6 6 14 5 7 34 6 8 35 6 $$$$