Mrv1652309082208112D 22 25 0 0 1 0 999 V2000 5.4554 1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3183 -0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1235 0.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0712 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 -0.3708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4675 -1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 0.4163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4013 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 0.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 0.0848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4780 0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8565 -0.1421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0431 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -0.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 -0.9158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8005 -1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 -1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -0.5680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8145 -0.4488 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 6 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 6 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 6 0 0 0 13 21 1 0 0 0 0 8 21 1 0 0 0 0 18 22 1 6 0 0 0 13 22 1 6 0 0 0 M END > NP0263112 > NP-MRD > CC1(C)[C@H]2CC[C@@]34C[C@@H](CO)[C@@H](C3)CC[C@H]4[C@]2(C)CCC1=O > InChI=1S/C20H32O2/c1-18(2)15-6-9-20-10-13(14(11-20)12-21)4-5-16(20)19(15,3)8-7-17(18)22/h13-16,21H,4-12H2,1-3H3/t13-,14+,15-,16+,19-,20+/m1/s1 > LHTFWLIJEYMGTO-XOHIKNMTSA-N > C20H32O2 > 304.474 > 304.24023027 > 2 > 54 > 36.30897536847866 > 1 > 1 > 0 > 1 > (1S,4S,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-6-one > 3.9377757283333334 > 0 > 4 > 0 > 19.962293886554583 > 17.905673691459295 > -1.5278578321821668 > 37.3 > 88.41379999999998 > 1 > 1 > (1S,4S,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-6-one > 1 > NP0263112 > (1s,4s,9s,10r,13r,14r)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-one $$$$