Mrv1652309122216442D 33 36 0 0 1 0 999 V2000 6.9097 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1028 0.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8478 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5507 0.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 0.2281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4888 1.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 1.1842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1298 0.5711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3228 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0679 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 2.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 3.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6621 4.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 3.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9789 2.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4269 1.9688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2339 1.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3847 -0.2135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9722 -0.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 -1.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 -1.2055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9924 -1.6180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9924 -2.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7069 -1.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4214 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1358 -1.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1358 -0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8503 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5648 -1.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8503 -2.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -0.3850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9763 -0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 7 17 1 0 0 0 0 17 18 1 1 0 0 0 8 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 22 32 1 0 0 0 0 19 32 1 0 0 0 0 5 32 1 0 0 0 0 32 33 1 1 0 0 0 M END > NP0329897 > NP-MRD > CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C > InChI=1S/C29H44O4/c1-17(2)26(32)12-7-18(3)23-10-11-24-22-9-8-20-15-21(31)13-14-28(20,5)25(22)16-27(29(23,24)6)33-19(4)30/h15,17-18,22-25,27H,7-14,16H2,1-6H3/t18-,22+,23-,24+,25+,27-,28+,29-/m1/s1 > MNAFYCYGUFCKLA-JJMOTNHVSA-N > C29H44O4 > 456.667 > 456.323959897 > 3 > 77 > 54.30173285154863 > 1 > 0 > 0 > 0 > (1S,2R,10R,11S,14R,15R,16R)-2,15-dimethyl-14-[(2R)-6-methyl-5-oxoheptan-2-yl]-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-16-yl acetate > 5.967198778666667 > 1 > 4 > 0 > 19.084517393605037 > -4.8141881172935905 > 60.440000000000005 > 130.89939999999999 > 7 > 0 > (1S,2R,10R,11S,14R,15R,16R)-2,15-dimethyl-14-[(2R)-6-methyl-5-oxoheptan-2-yl]-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-16-yl acetate > 0 > NP0329897 > (1r,3as,3br,9ar,9bs,11r,11ar)-9a,11a-dimethyl-1-[(2r)-6-methyl-5-oxoheptan-2-yl]-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl acetate $$$$