Mrv1533004191514582D 25 28 0 0 0 0 999 V2000 0.4472 2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1413 1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6752 1.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 1.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8566 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1586 -0.5806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4794 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2893 0.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5946 0.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4039 1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9582 0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7638 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4599 1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 -0.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0719 -0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 -0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7095 -0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 -0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 -1.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 -0.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -0.4494 0.0000 C 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 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 12 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 9 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 9 25 1 0 0 0 0 M END > NP0252548 > NP-MRD > CC(=O)OCC1(O)CC23CC1CCC2C1(C)CCCC(C)(C)C1CC3 > InChI=1S/C22H36O3/c1-15(23)25-14-22(24)13-21-11-8-17-19(2,3)9-5-10-20(17,4)18(21)7-6-16(22)12-21/h16-18,24H,5-14H2,1-4H3 > BLFBCGGLRLIPKT-UHFFFAOYSA-N > C22H36O3 > 348.527 > 348.266445019 > 2 > 61 > 40.997700240428735 > 1 > 1 > 0 > 1 > {14-hydroxy-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl}methyl acetate > 4.16 > 4.0427921950000005 > -5.72 > 0 > 4 > 0 > 13.7522302168957 > -3.34457450312982 > 46.53 > 98.24619999999999 > 3 > 1 > 6.68e-04 g/l > {14-hydroxy-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl}methyl acetate > 0 > NP0252548 > {14-hydroxy-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl}methyl acetate $$$$