229021 -OEChem-03292400492D 54 57 0 1 0 0 0 0 0999 V2000 9.6851 1.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.9209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -0.0791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -0.5791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -0.0791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8750 1.2257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2868 -0.5859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -1.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -1.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5677 2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.6348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0188 -0.9243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 0.3459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 1.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 1.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 1.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 0.8133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -0.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -0.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 0.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 0.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -2.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -1.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 2.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 0.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 0.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1832 -2.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1577 2.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3771 2.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 1.9867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 0.4093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 0.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -2.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -2.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 0.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -0.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -2.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2510 1.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8193 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 22 2 1 1 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 1 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 23 1 6 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 24 1 1 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 25 1 6 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 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 21 51 1 0 0 0 0 22 52 1 0 0 0 0 M END > 229021 > 1 > 512 > 2 > 2 > 0 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGCAAAAAGgAACAAAD1SggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEwAAIAAOAwPAPgAAAAAAAAADAAAQAACAAAYAADAAAAA== > (3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol > (3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol > (3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol > (3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol > (3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol > (3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol > InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1 > WRWBCPJQPDHXTJ-DTMQFJJTSA-N > 3.7 > 304.240230259 > C20H32O2 > 304.5 > CC12CCC(CC1=CCC3C2CCC4(C3CCC4(C)O)C)O > C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O > 40.5 > 304.240230259 > 0 > 22 > 7 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 7 1 5 22 2 5 3 14 5 4 23 6 5 24 5 6 25 6 8 19 5 $$$$