Mrv1533004241506122D 25 28 0 0 0 0 999 V2000 5.9734 -1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 -1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2041 -2.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5459 -1.0424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8136 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1184 -0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8017 -1.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6765 -0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0661 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8257 0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3132 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7596 -1.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6469 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1726 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1586 1.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 0.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7854 -0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1637 -0.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5987 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8854 -1.1523 0.0000 O 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 1 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 6 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 16 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 11 21 1 0 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 1 0 0 0 0 16 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 M END > NP0250049 > NP-MRD > CC(=O)OCC1(C)CCCC2(C)C3CCC4CC3(CC4C=O)CCC12 > InChI=1S/C22H34O3/c1-15(24)25-14-20(2)8-4-9-21(3)18(20)7-10-22-11-16(5-6-19(21)22)17(12-22)13-23/h13,16-19H,4-12,14H2,1-3H3 > RAPRAQOGLPOOKI-UHFFFAOYSA-N > C22H34O3 > 346.511 > 346.250794955 > 2 > 59 > 40.46388651477396 > 1 > 0 > 0 > 1 > {14-formyl-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl}methyl acetate > 3.73 > 3.9012473946666675 > -6.31 > 0 > 4 > 0 > 18.652111904226807 > -6.709796994500792 > 43.370000000000005 > 97.56099999999998 > 4 > 1 > 1.68e-04 g/l > {14-formyl-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl}methyl acetate > 0 > NP0250049 > {14-formyl-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl}methyl acetate $$$$