11294991 -OEChem-03292410272D 73 76 0 1 0 0 0 0 0999 V2000 8.9887 3.9228 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.3423 4.4609 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 2.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7824 4.9013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4103 1.6093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.3046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9939 0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 2.5599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 2.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 3.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -4.1954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -4.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9672 4.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2778 5.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6350 3.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2563 5.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6135 3.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9242 4.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 1.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 0.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 1.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -0.3093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 2.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 2.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.8872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 3.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 3.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 2.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1136 2.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -5.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -5.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2439 5.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8638 5.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4424 2.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4489 5.8751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0276 3.1295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5308 4.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 1 29 1 0 0 0 0 2 22 1 0 0 0 0 26 4 1 6 0 0 0 4 69 1 0 0 0 0 27 5 1 1 0 0 0 5 70 1 0 0 0 0 6 64 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 1 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 36 1 6 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 37 1 6 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 16 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 18 1 6 0 0 0 13 20 1 0 0 0 0 13 44 1 0 0 0 0 14 17 1 0 0 0 0 14 19 2 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 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 22 2 0 0 0 0 20 56 1 0 0 0 0 21 23 2 0 0 0 0 21 57 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 30 2 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 31 67 1 0 0 0 0 32 34 2 0 0 0 0 32 68 1 0 0 0 0 33 35 2 0 0 0 0 33 71 1 0 0 0 0 34 35 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 M END > 11294991 > 1 > 1020 > 5 > 3 > 5 > AAADcfB6MQBAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGABAAAAGwQQSAAADxSg0AIyAYAAAgqAAiBCAEBCAAAgCBAIiBgAAIgINCKgERCAYAAlwAAImAeA4MQPgAAAAAAAAAAAAAAQACAAAQAACAAAAA== > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1S)-3-fluoro-1-methyl-3-(phenylsulfonimidoyl)allyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2S)-4-fluoro-4-(phenylsulfonimidoyl)but-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2S)-4-fluoro-4-(phenylsulfonimidoyl)but-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2S)-4-fluoro-4-(phenylsulfonimidoyl)but-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2S)-4-fluoranyl-4-(phenylsulfonimidoyl)but-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1S)-3-fluoro-1-methyl-3-(phenylsulfonimidoyl)allyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol > InChI=1S/C29H38FNO3S/c1-19(16-28(30)35(31,34)24-9-5-4-6-10-24)25-13-14-26-21(8-7-15-29(25,26)3)11-12-22-17-23(32)18-27(33)20(22)2/h4-6,9-12,16,19,23,25-27,31-33H,2,7-8,13-15,17-18H2,1,3H3/b21-11+,22-12-,28-16+/t19-,23-,25-,26+,27+,29-,35?/m1/s1 > ZBCMHIIKPSPPAJ-TUBPWEKISA-N > 6.6 > 499.25564341 > C29H38FNO3S > 499.7 > CC(C=C(F)S(=N)(=O)C1=CC=CC=C1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C > C[C@H](/C=C(\F)/S(=N)(=O)C1=CC=CC=C1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C > 89.8 > 499.25564341 > 0 > 35 > 6 > 1 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 1 22 3 13 18 6 29 31 8 29 32 8 31 33 8 32 34 8 33 35 8 34 35 8 26 4 6 27 5 5 7 15 5 8 36 6 9 37 6 $$$$