Mrv1652309082203462D 25 27 0 0 1 0 999 V2000 -1.5350 -4.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3918 -4.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0238 -3.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -3.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -3.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -2.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4452 -3.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9520 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -4.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.7770 0.0000 C 0 0 2 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 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 1 0 0 0 6 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 1 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 2 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 24 1 6 0 0 0 11 25 1 0 0 0 0 6 25 1 0 0 0 0 M END > NP0259793 > NP-MRD > CC(C)C1=CC=C2C(=C1)C(=O)C[C@@H]1[C@](C)(COC(C)=O)CCC[C@]21C > InChI=1S/C22H30O3/c1-14(2)16-7-8-18-17(11-16)19(24)12-20-21(4,13-25-15(3)23)9-6-10-22(18,20)5/h7-8,11,14,20H,6,9-10,12-13H2,1-5H3/t20-,21+,22-/m1/s1 > VVMIBRAYCQENEA-BHIFYINESA-N > C22H30O3 > 342.479 > 342.219494826 > 2 > 55 > 38.758393886934286 > 1 > 0 > 0 > 1 > [(1R,4aS,10aS)-1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methyl acetate > 4.573051028999999 > 0 > 3 > 0 > 16.088595037549897 > -6.871306002270866 > 43.370000000000005 > 99.43949999999998 > 4 > 1 > [(1R,4aS,10aS)-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthren-1-yl]methyl acetate > 0 > NP0259793 > [(1r,4as,10as)-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthren-1-yl]methyl acetate $$$$