Mrv1533004161522462D 21 23 0 0 0 0 999 V2000 -0.6617 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3212 -1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7289 -0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1728 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 0.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1219 1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2881 1.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7387 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5786 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1837 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8317 -1.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8905 -1.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -1.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2654 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3288 -0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9127 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 -0.1865 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 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 10 11 1 0 0 0 0 10 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 0 0 0 0 2 16 1 0 0 0 0 9 16 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 10 21 1 0 0 0 0 M END > NP0314780 > NP-MRD > CC1CC(OC(C)=O)C2C1(C)CC1CCC2(C)OC1(C)C > InChI=1S/C18H30O3/c1-11-9-14(20-12(2)19)15-17(11,5)10-13-7-8-18(15,6)21-16(13,3)4/h11,13-15H,7-10H2,1-6H3 > PRCDDNKVZQBPNG-UHFFFAOYSA-N > C18H30O3 > 294.435 > 294.219494826 > 2 > 51 > 33.96716536640336 > 1 > 0 > 0 > 1 > 1,5,6,9,9-pentamethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecan-3-yl acetate > 3.95 > 3.1088527829999997 > -5.17 > 0 > 3 > 0 > -4.207983804297284 > 35.53 > 82.02680000000001 > 2 > 1 > 1.98e-03 g/l > 1,5,6,9,9-pentamethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecan-3-yl acetate > 1 > NP0314780 > 1,5,6,9,9-pentamethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecan-3-yl acetate $$$$