18142 -OEChem-04262409062D 66 70 0 1 0 0 0 0 0999 V2000 11.5948 1.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 -2.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6104 -0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8385 0.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8385 -0.8499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9725 -1.3499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1065 -0.8499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7848 0.4549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9725 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7848 -1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1065 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3684 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1965 -1.3567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9886 -2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8385 1.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1885 -2.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2697 -0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0905 -2.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4774 1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 -1.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2530 -2.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5076 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1700 2.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 -2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3177 1.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 -1.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9285 -1.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7119 -1.7692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8426 -0.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 1.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 1.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5337 -1.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3221 -1.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8944 0.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4959 0.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8292 -0.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8292 0.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2129 -0.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2066 -2.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5977 -2.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4585 1.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8385 1.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2185 1.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6779 -0.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8797 -0.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0929 -3.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 -0.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 -1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2554 -3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9794 2.9480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 -2.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6812 0.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8199 1.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9541 1.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1007 -1.4063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 -0.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 -3.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 -3.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 -0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -0.9379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -2.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 23 1 0 0 0 0 2 22 1 0 0 0 0 2 25 1 0 0 0 0 3 23 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 6 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 32 1 1 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 33 1 6 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 1 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 19 24 3 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 21 53 1 0 0 0 0 23 26 1 0 0 0 0 24 54 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 29 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 30 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 M END > 18142 > 1 > 822 > 3 > 0 > 5 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYMAAAAwQIAAAAAAAGCAAAAAGgAAAAAAD1SggAICCAAABADIGiDSCAgACAAgIAAACAAAAAgIAAIAAQACAAAEgAAIgAOAwPAPgAAAAAAAAACAAAQAACAAAYAADAAAAA== > [(8R,9S,10R,13S,14S,17R)-3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate > acetic acid [(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester > [(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate > [(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate > [(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate > acetic acid [(8R,9S,10R,13S,14S,17R)-3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester > InChI=1S/C27H36O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,9,17,20,22-25H,5-8,10-16H2,2-3H3/t22-,23+,24+,25-,26-,27-/m0/s1 > FLGJKPPXEKYCBY-AKCFYGDASA-N > 5.3 > 408.26644501 > C27H36O3 > 408.6 > CC(=O)OC1(CCC2C1(CCC3C2CC=C4C3CCC(=C4)OC5CCCC5)C)C#C > CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(=C4)OC5CCCC5)C)C#C > 35.5 > 408.26644501 > 0 > 30 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 8 1 5 13 42 5 4 15 5 5 31 6 6 32 5 7 33 6 $$$$