Mrv1652309052220302D 27 30 0 0 1 0 999 V2000 7.2745 2.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4496 2.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0495 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 1.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7999 2.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 -0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0742 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4989 -0.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4743 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2093 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1959 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8492 -0.8063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2739 -1.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8738 -2.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0988 -1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0243 -0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 -0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1262 -0.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3373 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3231 0.2772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5012 0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0279 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4806 1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1032 0.5457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9996 0.6082 0.0000 O 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 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 7 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 13 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 20 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 21 25 1 0 0 0 0 26 25 1 1 0 0 0 18 26 1 0 0 0 0 21 26 1 0 0 0 0 18 27 1 0 0 0 0 6 27 1 0 0 0 0 M END > NP0217989 > NP-MRD > COC1=C(C)C2=C([C@H](CC3(CC[C@]4(C[C@@H]34)C(C)C)O2)C(C)C)C(=O)C1(C)C > InChI=1S/C24H36O3/c1-13(2)16-11-24(10-9-23(14(3)4)12-17(23)24)27-19-15(5)21(26-8)22(6,7)20(25)18(16)19/h13-14,16-17H,9-12H2,1-8H3/t16-,17-,23+,24?/m1/s1 > GANQKRZEIAHQPL-RFFTYPKPSA-N > C24H36O3 > 372.549 > 372.266445019 > 3 > 63 > 44.25121529421188 > 1 > 0 > 0 > 1 > (1'R,4R,5'S)-7-methoxy-6,6,8-trimethyl-4,5'-bis(propan-2-yl)-3,4,5,6-tetrahydrospiro[1-benzopyran-2,2'-bicyclo[3.1.0]hexane]-5-one > 4.789414875999999 > 0 > 4 > 0 > -4.534283237932102 > 35.53 > 110.57099999999998 > 3 > 1 > (1'R,4R,5'S)-4,5'-diisopropyl-7-methoxy-6,6,8-trimethyl-3,4-dihydrospiro[1-benzopyran-2,2'-bicyclo[3.1.0]hexane]-5-one > 1 > NP0217989 > (1'r,4r,5's)-4,5'-diisopropyl-7-methoxy-6,6,8-trimethyl-3,4-dihydrospiro[1-benzopyran-2,2'-bicyclo[3.1.0]hexan]-5-one $$$$