11306195 -OEChem-04242415262D 73 76 0 1 0 0 0 0 0999 V2000 8.9887 3.9376 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.1949 2.9591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7824 4.9161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4103 1.6242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.3194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9939 0.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 2.5747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 3.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 2.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 3.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -4.1806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -4.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9672 4.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2778 5.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6350 3.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2563 5.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6135 3.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9242 4.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 1.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -0.5258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 0.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 1.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -0.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 2.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 2.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.4271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 3.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 3.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 2.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1136 2.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 4.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1931 5.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8638 5.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4424 2.8102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4489 5.8899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0276 3.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5308 4.6841 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 21 1 0 0 0 0 1 28 1 0 0 0 0 25 3 1 6 0 0 0 3 69 1 0 0 0 0 26 4 1 1 0 0 0 4 70 1 0 0 0 0 5 64 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 35 1 6 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 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 15 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 17 1 6 0 0 0 12 19 1 0 0 0 0 12 43 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 20 1 0 0 0 0 18 54 1 0 0 0 0 19 21 2 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 57 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 26 1 0 0 0 0 24 29 2 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 32 1 0 0 0 0 30 67 1 0 0 0 0 31 33 2 0 0 0 0 31 68 1 0 0 0 0 32 34 2 0 0 0 0 32 71 1 0 0 0 0 33 34 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 M END > 11306195 > 1 > 966 > 4 > 3 > 5 > AAADcfB6MABAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGABAAAAGgQQSAAADxSk0AKyAYAAAgqAAiBCAEBCAAAgCBAIiBgAAIgINCKgERCAYAAlwAAImAeA4MQPgAAAAAAAAAAAAAAQACAAAQAACAAAAA== > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1S)-1-methyl-3-(phenylsulfonimidoyl)allyl]-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)-7a-methyl-1-[(E,2S)-4-(phenylsulfonimidoyl)but-3-en-2-yl]-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)-7a-methyl-1-[(E,2S)-4-(phenylsulfonimidoyl)but-3-en-2-yl]-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)-7a-methyl-1-[(E,2S)-4-(phenylsulfonimidoyl)but-3-en-2-yl]-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)-7a-methyl-1-[(E,2S)-4-(phenylsulfonimidoyl)but-3-en-2-yl]-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)-7a-methyl-1-[(E,1S)-1-methyl-3-(phenylsulfonimidoyl)allyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol > InChI=1S/C29H39NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,15,17,20,24,26-28,30-32H,2,7-8,13-14,16,18-19H2,1,3H3/b17-15+,22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/m1/s1 > DWIZTEIFALXVQB-OWENUVRTSA-N > 6.3 > 481.26506528 > C29H39NO3S > 481.7 > CC(C=CS(=N)(=O)C1=CC=CC=C1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C > C[C@H](/C=C/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 > 481.26506528 > 0 > 34 > 6 > 1 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 1 21 3 12 17 6 28 30 8 28 31 8 25 3 6 30 32 8 31 33 8 32 34 8 33 34 8 26 4 5 6 14 5 7 35 6 8 36 6 $$$$