13490845 CDK 0425242202 33 37 0 0 0 0 0 0 0 0999 V2000 7.1783 1.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -2.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6912 -0.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.6905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 0.0405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6513 -0.7845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9369 -1.1970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4319 0.2919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9369 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4319 -1.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9134 -0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 0.0405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2223 -0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 -2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4716 -1.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1002 0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 -2.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 -0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8533 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6933 -2.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -1.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9381 -0.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 1.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 2 27 2 0 0 0 0 3 28 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 7 13 1 0 0 0 0 7 15 1 6 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 1 0 0 0 13 16 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 20 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 22 28 1 0 0 0 0 23 27 1 0 0 0 0 24 27 1 0 0 0 0 25 29 1 0 0 0 0 26 30 2 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 M END > CHEBI:231211 > Lilopristone > 2 > (8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-[(Z)-3-hydroxyprop-1-enyl]-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > C29H37NO3 > 447.619 > 447.27734 > 0 > O[C@@]1([C@@]2([C@H]([C@H]3C([C@H](C2)C4=CC=C(N(C)C)C=C4)=C5C(CC3)=CC(=O)CC5)CC1)C)/C=C\CO > InChI=1S/C29H37NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h4-6,8-9,14,17,24-26,31,33H,7,10-13,15-16,18H2,1-3H3/b14-4-/t24-,25+,26-,28-,29-/m0/s1 > RCOWGILQXUPXEW-FUSOFXSQSA-N $$$$