Mrv1652309072222362D 28 30 0 0 0 0 999 V2000 -0.0833 4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1441 4.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9446 3.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4289 3.5343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 2.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5737 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2577 2.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 1.6346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2481 1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5303 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 2.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4136 2.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4419 1.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1369 2.1560 0.0000 Cl 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 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 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 11 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 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 9 25 1 0 0 0 0 5 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > NP0255941 > NP-MRD > CC1CC=C2C(CCCC2(C)C)C1(C)CC1OC(=O)C(OC(C)=O)C1(O)CCl > InChI=1S/C22H33ClO5/c1-13-8-9-15-16(7-6-10-20(15,3)4)21(13,5)11-17-22(26,12-23)18(19(25)28-17)27-14(2)24/h9,13,16-18,26H,6-8,10-12H2,1-5H3 > VHRXKVWBDALPTK-UHFFFAOYSA-N > C22H33ClO5 > 412.95 > 412.2016519 > 3 > 61 > 44.34078886856328 > 1 > 1 > 0 > 1 > 4-(chloromethyl)-4-hydroxy-2-oxo-5-[(1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)methyl]oxolan-3-yl acetate > 3.8534485106666647 > 0 > 3 > 0 > 18.287272636704998 > 11.89653721464691 > -4.156251657519438 > 72.83000000000001 > 106.72579999999998 > 5 > 1 > 4-(chloromethyl)-4-hydroxy-2-oxo-5-[(1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl)methyl]oxolan-3-yl acetate > 0 > NP0255941 > 4-(chloromethyl)-4-hydroxy-2-oxo-5-[(1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl)methyl]oxolan-3-yl acetate $$$$