Mrv1533004241511282D 29 31 0 0 0 0 999 V2000 -0.4421 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 -1.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7954 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2079 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2079 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2079 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7454 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6021 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5206 0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7454 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -1.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 -2.2539 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 7 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 18 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 17 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 13 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 6 28 1 0 0 0 0 28 29 2 0 0 0 0 M END > NP0315853 > NP-MRD > COC(=O)CC1C(COC(C)=O)C2(C)CCC3C(C)(C)CCCC3(C)C2OC1=O > InChI=1S/C23H36O6/c1-14(24)28-13-16-15(12-18(25)27-6)19(26)29-20-22(16,4)11-8-17-21(2,3)9-7-10-23(17,20)5/h15-17,20H,7-13H2,1-6H3 > PPHCXQBJUPKZTK-UHFFFAOYSA-N > C23H36O6 > 408.535 > 408.251188879 > 3 > 65 > 44.833214601928184 > 1 > 0 > 0 > 1 > [3-(2-methoxy-2-oxoethyl)-4a,7,7,10a-tetramethyl-2-oxo-dodecahydro-2H-naphtho[1,2-b]pyran-4-yl]methyl acetate > 3.80 > 3.482131099666666 > -5.42 > 1 > 3 > 0 > -6.561144007459946 > 78.9 > 106.524 > 6 > 1 > 1.54e-03 g/l > [3-(2-methoxy-2-oxoethyl)-4a,7,7,10a-tetramethyl-2-oxo-octahydro-3H-naphtho[1,2-b]pyran-4-yl]methyl acetate > 0 > NP0315853 > [3-(2-methoxy-2-oxoethyl)-4a,7,7,10a-tetramethyl-2-oxo-octahydro-3h-naphtho[1,2-b]pyran-4-yl]methyl acetate $$$$