66444 -OEChem-05052417492D 97103 0 1 0 0 0 0 0999 V2000 6.7318 12.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4318 4.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 8.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 0.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 11.1812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0930 10.1812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2270 9.6812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7929 3.7182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7929 2.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3610 10.1812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9269 2.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0392 11.4859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2270 11.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0392 9.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 11.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7391 4.0229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0609 2.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6228 10.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9269 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7391 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 8.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0609 3.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3227 3.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 12.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 9.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7929 4.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 8.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4429 8.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1509 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0449 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5241 10.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1428 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8492 12.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5492 4.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5762 9.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5679 8.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2074 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2761 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6593 12.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3592 5.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 1.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1829 9.3359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 9.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8829 1.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 10.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 1.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6255 12.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 12.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7882 9.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5766 9.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1489 11.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7504 11.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 3.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0837 10.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0837 11.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3254 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5284 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4881 1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2765 2.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4611 8.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8522 8.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8488 4.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4503 3.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 2.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 3.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7130 12.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 12.8012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 12.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1610 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5521 1.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4129 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7929 5.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1729 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 7.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 7.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6476 0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4459 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9323 10.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 10.7204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1475 12.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1102 7.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9085 7.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8474 5.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 10.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9646 9.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 3.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2098 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7428 2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 13.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8614 5.5592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 1.7049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2237 0.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 84 1 0 0 0 0 16 2 1 1 0 0 0 2 87 1 0 0 0 0 3 39 2 0 0 0 0 4 43 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 24 1 1 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 46 1 6 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 7 47 1 1 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 8 27 1 1 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 48 1 6 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 10 49 1 6 0 0 0 11 17 1 0 0 0 0 11 26 1 0 0 0 0 11 50 1 1 0 0 0 12 18 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 18 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 23 1 0 0 0 0 16 35 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 17 57 1 6 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 22 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 23 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 28 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 29 2 0 0 0 0 25 32 1 0 0 0 0 26 31 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 29 1 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 29 36 1 0 0 0 0 30 33 2 0 0 0 0 30 38 1 0 0 0 0 31 33 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 32 37 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 40 1 0 0 0 0 34 42 3 0 0 0 0 35 44 3 0 0 0 0 36 39 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 39 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 41 2 0 0 0 0 38 90 1 0 0 0 0 40 43 2 0 0 0 0 40 91 1 0 0 0 0 41 43 1 0 0 0 0 41 92 1 0 0 0 0 42 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 > 66444 > 1 > 1130 > 4 > 2 > 3 > AAADcfB8OAAAAAAAAAAAAAAAAAAAAYMAAAAwYMGCAAAAAGDBAAAAGgAACAAAD0SAmAIyBoAABgDIGqBSAAgCCAAgIAAIiAEGCIgMJjKEMRqAcCAkwBEIqAeIyPCPoAABAAAQAADAAAYAACAAAYAADAAAAA== > (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol > (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol > (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol > (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol > (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-17-oxidanyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one > (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol > InChI=1S/C21H26O2.C20H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3;1,16-18,22H,4-12H2,2H3/t17-,18-,19+,20+,21+;16-,17-,18+,19+,20+/m11/s1 > YEXIOUZEXADMJW-HHWOBMLOSA-N > 608.38656014 > C41H52O4 > 608.8 > CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC > C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC > 66.8 > 608.38656014 > 0 > 45 > 10 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 12 1 5 10 49 6 11 50 5 17 57 6 16 2 5 30 33 8 30 38 8 33 40 8 38 41 8 40 43 8 41 43 8 5 24 5 6 46 6 7 47 5 8 27 5 9 48 6 $$$$