70539074 -OEChem-05062401422D 103107 0 1 0 0 0 0 0999 V2000 12.4208 12.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1813 12.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3721 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6400 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3721 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1041 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2950 8.0290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4290 8.5290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1611 8.5290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1611 9.5290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5190 8.0222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5110 6.9806 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4290 9.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2950 10.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1073 9.8338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3111 6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1073 8.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4131 6.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6909 9.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 8.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5756 6.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1611 10.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 9.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6443 8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6359 6.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4180 10.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8316 11.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3695 11.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3713 12.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.4940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5060 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7320 6.9940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3721 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5981 5.4940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5060 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 6.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2381 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.4940 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2381 2.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4641 4.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6400 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0344 7.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 8.9540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2510 7.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5134 6.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2170 10.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8184 9.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6936 10.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8965 10.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7198 9.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5291 6.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9203 7.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8563 7.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6447 7.9151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 5.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8140 5.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1518 8.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1518 9.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0004 9.0529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 9.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1783 5.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9765 5.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7811 10.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1611 11.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5411 10.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1467 9.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5315 9.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9068 9.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4398 8.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0326 7.9569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 7.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4224 6.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3715 12.0100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3701 11.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8705 10.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9691 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 7.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9090 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.8740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 7.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 6.3864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4502 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8487 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.8740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2381 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 4.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 5.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1031 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3300 2.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1031 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 8.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9090 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1041 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 33 1 0 0 0 0 2 33 2 0 0 0 0 3 38 1 0 0 0 0 3 42 1 0 0 0 0 4 39 1 0 0 0 0 4 43 1 0 0 0 0 34 5 1 6 0 0 0 5 98 1 0 0 0 0 35 6 1 6 0 0 0 6 99 1 0 0 0 0 36 7 1 6 0 0 0 7100 1 0 0 0 0 37 8 1 6 0 0 0 8101 1 0 0 0 0 9 42 1 0 0 0 0 9102 1 0 0 0 0 10 43 1 0 0 0 0 10103 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 46 1 1 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 47 1 6 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 48 1 6 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 1 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 27 1 1 0 0 0 16 22 1 0 0 0 0 16 25 1 0 0 0 0 16 49 1 0 0 0 0 17 18 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 19 23 1 0 0 0 0 19 30 1 1 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 28 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 29 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 29 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 33 1 0 0 0 0 32 79 1 0 0 0 0 34 36 1 0 0 0 0 34 38 1 0 0 0 0 34 80 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 0 0 0 0 35 81 1 0 0 0 0 36 40 1 0 0 0 0 36 82 1 0 0 0 0 37 41 1 0 0 0 0 37 83 1 0 0 0 0 38 44 1 1 0 0 0 38 84 1 0 0 0 0 39 45 1 1 0 0 0 39 85 1 0 0 0 0 40 42 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 88 1 0 0 0 0 41 89 1 0 0 0 0 42 90 1 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 M END > 70539074 > 1 > 724 > 10 > 6 > 1 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYIAAAA0aMECAAAAAGDAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRFAIAIQACUAAFgAAPIQPA4PQPgAAAAAAAAACAAAQAACAAAQAACAAAAA== > 3-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;(4S,5S,6R)-6-methyltetrahydropyran-2,4,5-triol > 3-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;(4S,5S,6R)-6-methyloxane-2,4,5-triol > 3-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;(4S,5S,6R)-6-methyloxane-2,4,5-triol > 3-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;(4S,5S,6R)-6-methyloxane-2,4,5-triol > 3-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;(4S,5S,6R)-6-methyloxane-2,4,5-triol > 3-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;(4S,5S,6R)-6-methyltetrahydropyran-2,4,5-triol > InChI=1S/C23H34O2.2C6H12O4/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22;2*1-3-6(9)4(7)2-5(8)10-3/h13,16-20H,3-12,14H2,1-2H3;2*3-9H,2H2,1H3/t16?,17-,18+,19-,20-,22-,23+;2*3-,4+,5?,6-/m011/s1 > BTZZKCYRASXGLW-MIRYXMBYSA-N > 638.40299804 > C35H58O10 > 638.8 > CC1C(C(CC(O1)O)O)O.CC1C(C(CC(O1)O)O)O.CC12CCCCC1CCC3C2CCC4(C3CCC4C5=CC(=O)OC5)C > C[C@@H]1[C@H]([C@H](CC(O1)O)O)O.C[C@@H]1[C@H]([C@H](CC(O1)O)O)O.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=CC(=O)OC4)CCC5[C@@]3(CCCC5)C > 166 > 638.40299804 > 0 > 45 > 12 > 3 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 43 10 3 11 46 5 12 47 6 13 48 6 14 26 5 15 27 5 16 25 3 19 30 5 38 44 5 39 45 5 34 5 6 35 6 6 36 7 6 37 8 6 42 9 3 $$$$