Mrv1533004231521512D 22 24 0 0 0 0 999 V2000 1.4326 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5189 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8514 -0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9377 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2702 0.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4835 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1509 0.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5697 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1393 1.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0325 2.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7713 1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0262 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6393 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7799 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 -0.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1987 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3141 -1.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 -0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3588 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0732 -0.4181 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 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 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 18 20 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 9 21 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > NP0278114 > NP-MRD > CC1CC(OC(C)=O)C2C(C)(C)CC3(C)COC(O)C1C23O > InChI=1S/C17H28O5/c1-9-6-11(22-10(2)18)13-15(3,4)7-16(5)8-21-14(19)12(9)17(13,16)20/h9,11-14,19-20H,6-8H2,1-5H3 > QUGYVDURDBEQRB-UHFFFAOYSA-N > C17H28O5 > 312.406 > 312.193674002 > 4 > 50 > 33.74761635821132 > 1 > 2 > 0 > 1 > 7,12-dihydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate > 0.94 > 1.2897931509999991 > -2.01 > 0 > 3 > 0 > 13.811474880165687 > 12.078554828291875 > -3.3687689687082853 > 75.99000000000001 > 79.66049999999998 > 2 > 1 > 3.08e+00 g/l > 7,12-dihydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate > 0 > NP0278114 > 7,12-dihydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate $$$$