Mrv2104 05272302252D 21 24 0 0 0 0 999 V2000 3.9503 -1.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 -0.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4774 -0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 -0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9309 -1.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4373 -2.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -1.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -1.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4662 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 11 20 1 0 0 0 0 2 20 1 0 0 0 0 17 21 1 0 0 0 0 12 17 1 0 0 0 0 2 8 1 0 0 0 0 M END > NP0339857 > NP-MRD > CC12CCC3C(CC=C4CC(=O)CCC34C)C1CCC2=O > InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3 > SQGZFRITSMYKRH-UHFFFAOYNA-N > C19H26O2 > 286.415 > 286.193280077 > 2 > 47 > 33.1494740522928 > 1 > 0 > 0 > 1 > 9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione > 3.569205857 > 0 > 4 > 0 > 16.169935131792723 > -7.1511823837848185 > 34.14 > 83.6308 > 0 > 1 > 9a,11a-dimethyl-2H,3H,3aH,3bH,4H,6H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene-1,7-dione > 1 > NP0339857 > 5-androstene-3,17-dione $$$$