Mrv1533004251505412D 21 23 0 0 0 0 999 V2000 3.5676 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2415 -0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 0.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1188 0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3005 1.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0883 1.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 2.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6944 1.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3609 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4368 -0.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2223 -0.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8873 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6714 1.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7802 1.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6003 0.4282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 -0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1878 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0835 -0.5891 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 3 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 4 9 1 0 0 0 0 9 10 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 9 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END > NP0313476 > NP-MRD > CC1CC(OC(C)=O)C2C1CC1C(O)CC2(C)OC1(C)C > InChI=1S/C17H28O4/c1-9-6-14(20-10(2)18)15-11(9)7-12-13(19)8-17(15,5)21-16(12,3)4/h9,11-15,19H,6-8H2,1-5H3 > KSJYGLBFXLTFDO-UHFFFAOYSA-N > C17H28O4 > 296.407 > 296.198759382 > 3 > 49 > 33.2560843201243 > 1 > 1 > 0 > 1 > 12-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecan-3-yl acetate > 2.18 > 1.3908498569999987 > -3.16 > 0 > 3 > 0 > 14.766877738537907 > -2.9007676771635182 > 55.760000000000005 > 79.0788 > 2 > 1 > 2.05e-01 g/l > 12-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecan-3-yl acetate > 0 > NP0313476 > 12-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecan-3-yl acetate $$$$