13109 -OEChem-03282411152D 51 54 0 1 0 0 0 0 0999 V2000 8.0319 1.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.6286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.3714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.8714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.3714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.9333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.8783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9229 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9594 2.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 -0.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0037 1.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6051 2.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.1678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8371 2.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9901 2.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2171 1.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4616 2.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 1 47 1 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 1 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 6 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 25 1 1 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 6 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 33 1 1 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 21 2 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 23 3 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 23 51 1 0 0 0 0 M END > 13109 > 1 > 609 > 2 > 1 > 2 > AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAACAAAD0SAgAACAAAAAgDIGqBSAAgAAAAgAAAACAEAAEgAABIAAQAAQAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAYAADAAAAA== > (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one > (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one > (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one > (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one > (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one > (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one > InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1 > WWYNJERNGUHSAO-XUDSTZEESA-N > 3.3 > 312.208930132 > C21H28O2 > 312.4 > Bypass - this structure was created from CID 13109 > CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34 > CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 > 37.3 > 312.208930132 > 0 > 23 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 7 1 5 11 33 5 3 14 5 4 24 6 5 25 5 6 26 6 $$$$