3082529 -OEChem-05142411112D 61 64 0 1 0 0 0 0 0999 V2000 7.4264 -3.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -1.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9176 3.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2713 3.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.6569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.3431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.8431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.3431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.9616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5271 1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.8499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9229 0.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.8846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 1.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4149 -2.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 2.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 3.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2982 -3.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 1.4010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5491 -2.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.8883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6294 2.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0361 1.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6490 1.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2423 2.0310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9944 -4.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8387 -4.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 -3.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1103 3.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 29 1 0 0 0 0 2 23 2 0 0 0 0 3 27 2 0 0 0 0 4 28 1 0 0 0 0 4 61 1 0 0 0 0 5 28 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 1 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 1 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 32 1 6 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 1 0 0 0 14 22 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 6 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 25 2 0 0 0 0 20 24 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 26 2 0 0 0 0 22 53 1 0 0 0 0 24 28 1 0 0 0 0 24 54 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 27 1 0 0 0 0 26 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 M END > 3082529 > 1 > 795 > 5 > 1 > 5 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAACAAADwSAgAICCAAABgCIAqDSCAAAAAAgAAAICAEAAEgAABIAAQAAQAAEgAAIAYOIyPCPgAAAAAAAAACAAAQAACAAAQAACAAAAA== > 3-[(7R,8S,9S,10R,13R,14S)-7-methoxycarbonyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid > 3-[(7R,8S,9S,10R,13R,14S)-7-methoxycarbonyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid > 3-[(7R,8S,9S,10R,13R,14S)-7-methoxycarbonyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid > 3-[(7R,8S,9S,10R,13R,14S)-7-methoxycarbonyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid > 3-[(7R,8S,9S,10R,13R,14S)-7-methoxycarbonyl-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid > 3-[(7R,8S,9S,10R,13R,14S)-7-carbomethoxy-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propionic acid > InChI=1S/C24H32O5/c1-23-11-9-19-21(18(23)6-4-14(23)5-7-20(26)27)17(22(28)29-3)13-15-12-16(25)8-10-24(15,19)2/h8,10,12,14,17-19,21H,4-7,9,11,13H2,1-3H3,(H,26,27)/t14?,17-,18+,19+,21+,23-,24+/m1/s1 > CIGGYUVOVCBPMD-QYIXQPOSSA-N > 4.1 > 400.22497412 > C24H32O5 > 400.5 > CC12CCC3C(C1CCC2CCC(=O)O)C(CC4=CC(=O)C=CC34C)C(=O)OC > C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2CCC(=O)O)[C@@H](CC4=CC(=O)C=C[C@]34C)C(=O)OC > 80.7 > 400.22497412 > 0 > 29 > 6 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 20 3 14 21 5 16 23 6 6 17 5 7 30 6 8 31 5 9 32 6 $$$$