20054971 -OEChem-03292402492D 65 69 0 1 0 0 0 0 0999 V2000 11.5948 1.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 -2.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8385 0.9209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8385 -0.0791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9725 -0.5791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1065 -0.0791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7848 1.2257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9725 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7848 -0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1965 -0.5859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1065 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3684 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9886 -1.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8385 1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1885 -1.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2697 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4774 2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0905 -2.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2530 -2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 -1.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 -1.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 -0.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -2.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -0.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9285 -0.9243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7119 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8426 0.3459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 1.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 1.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5337 -0.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3221 -0.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8944 1.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4959 0.8133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8292 0.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8292 0.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2066 -2.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5977 -1.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4585 1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8385 2.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2185 1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6779 0.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8797 0.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0674 2.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2868 2.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8874 1.9867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0929 -2.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8242 0.4093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5842 0.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1608 1.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 0.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 -0.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2554 -2.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 -2.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1007 -0.6355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 -0.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 -2.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 -2.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -0.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 -0.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -1.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 1 53 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 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 28 1 6 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 29 1 1 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 30 1 6 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 1 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 18 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 21 56 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 M END > 20054971 > 1 > 672 > 2 > 1 > 2 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYMAAAAwQIAAAAAAAGCAAAAAGgAACAAAD1SggAICAAAABgCAAiBCAAAACAAgIAAACAAAAAgIAAIAAQACQAAEgAAIgAOAwPAPgAAAAAAAAACAAAQAACAAAYAADAAAAA== > (8R,9S,10R,13S,14S,17S)-3-(cyclopentoxy)-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol > (8R,9S,10R,13S,14S,17S)-3-cyclopentyloxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol > (8R,9S,10R,13S,14S,17S)-3-cyclopentyloxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol > (8R,9S,10R,13S,14S,17S)-3-cyclopentyloxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol > (8R,9S,10R,13S,14S,17S)-3-cyclopentyloxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol > (8R,9S,10R,13S,14S,17S)-3-(cyclopentoxy)-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol > InChI=1S/C25H38O2/c1-23-13-10-19(27-18-6-4-5-7-18)16-17(23)8-9-20-21(23)11-14-24(2)22(20)12-15-25(24,3)26/h8,16,18,20-22,26H,4-7,9-15H2,1-3H3/t20-,21+,22+,23+,24+,25+/m1/s1 > ZUBDXGHKAAMAAA-RFXJPFPRSA-N > 5.6 > 370.287180451 > C25H38O2 > 370.6 > CC12CCC(=CC1=CCC3C2CCC4(C3CCC4(C)O)C)OC5CCCC5 > C[C@]12CCC(=CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)OC5CCCC5 > 29.5 > 370.287180451 > 0 > 27 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 7 1 5 10 19 5 3 14 5 4 28 6 5 29 5 6 30 6 $$$$