Mrv2104 05272302382D 29 32 0 0 0 0 999 V2000 -0.9747 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -7.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -7.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -7.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -7.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3207 -6.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1277 -6.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6798 -6.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 -6.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -5.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5486 -5.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1007 -6.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8457 -7.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0388 -7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7838 -8.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 -8.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 -7.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6178 -7.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 -8.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -8.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9076 -6.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9347 -6.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -6.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -6.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -8.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -6.2780 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 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 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 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 7 23 1 0 0 0 0 8 21 1 0 0 0 0 11 20 1 0 0 0 0 15 24 2 0 0 0 0 12 25 1 0 0 0 0 8 26 1 0 0 0 0 6 27 1 0 0 0 0 3 28 2 0 0 0 0 2 29 1 0 0 0 0 M END > NP0339896 > NP-MRD > CC(C)C(=C)CCC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C > InChI=1/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-21,24-26H,3,7-9,11-17H2,1-2,4-6H3 > XFPWUGLDJACLNZ-UHFFFAOYNA-N > C28H44O > 396.659 > 396.339216037 > 1 > 73 > 49.36595181086274 > 1 > 0 > 0 > 0 > 9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one > 7.259763117666665 > 0 > 4 > 0 > -7.353012991872514 > 17.07 > 123.91449999999998 > 5 > 0 > 9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1H,2H,3H,3aH,5H,5aH,6H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one > 1 > NP0339896 > episterone $$$$