Mrv1652309062203042D 30 34 0 0 0 0 999 V2000 3.5810 -2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4202 -1.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0406 -0.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 -1.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3031 -0.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 -0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5836 -1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2517 -0.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9412 0.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4551 1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 1.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0986 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 2.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9607 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5204 1.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 0.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8142 1.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6379 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9367 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5757 1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2695 0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5811 -0.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2356 -0.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2977 0.0695 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 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 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 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 9 20 1 0 0 0 0 13 20 1 0 0 0 0 18 21 1 0 0 0 0 5 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 21 30 1 0 0 0 0 M END > NP0223076 > NP-MRD > CC(=O)OC1(C)C(=O)C2OC(=O)C3(C)CCCC(C)(C23)C11CCC2(CCC(O)O2)O1 > InChI=1S/C22H30O8/c1-12(23)28-20(4)16(25)14-15-18(2,17(26)27-14)7-5-8-19(15,3)22(20)11-10-21(30-22)9-6-13(24)29-21/h13-15,24H,5-11H2,1-4H3 > VOCQGZSCIFRADC-UHFFFAOYSA-N > C22H30O8 > 422.474 > 422.194067926 > 6 > 60 > 42.42485500620778 > 1 > 1 > 0 > 1 > 5-hydroxy-1'',6'',8''-trimethyl-2'',5''-dioxodispiro[bis(oxolane)-2,2':5',7''-[3]oxatricyclo[6.3.1.0^{4,12}]dodecane]-6''-yl acetate > 2.363009325666667 > 0 > 5 > 0 > 14.126737015580026 > 12.386358928171777 > -3.9384547093843603 > 108.36000000000003 > 101.42049999999999 > 2 > 1 > 5-hydroxy-1'',6'',8''-trimethyl-2'',5''-dioxodispiro[bis(oxolane)-2,2':5',7''-[3]oxatricyclo[6.3.1.0^{4,12}]dodecane]-6''-yl acetate > 0 > NP0223076 > 5-hydroxy-1'',6'',8''-trimethyl-2'',5''-dioxodispiro[bis(oxolane)-2,2':5',7''-[3]oxatricyclo[6.3.1.0⁴,¹²]dodecan]-6''-yl acetate $$$$