Mrv1652309102223162D 35 36 0 0 0 0 999 V2000 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0387 -0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3941 -1.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.0625 0.0000 C 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 2 0 0 0 0 4 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 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 4 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 29 34 1 0 0 0 0 7 34 1 0 0 0 0 23 34 1 0 0 0 0 34 35 1 0 0 0 0 M END > NP0305434 > NP-MRD > CCCC(=O)OC1CCC(C)=C\C=C(C(C)C(=O)OC)/C(=O)C2C(C)C(O)CC(OC(C)=O)C12C > InChI=1S/C27H40O8/c1-8-9-23(30)35-21-13-11-15(2)10-12-19(16(3)26(32)33-7)25(31)24-17(4)20(29)14-22(27(21,24)6)34-18(5)28/h10,12,16-17,20-22,24,29H,8-9,11,13-14H2,1-7H3/b15-10?,19-12- > PFZIKZPNVHMBFU-XXGCOWMQSA-N > C27H40O8 > 492.609 > 492.272318248 > 5 > 75 > 53.01861714946907 > 1 > 1 > 0 > 0 > 4-(acetyloxy)-2-hydroxy-11-(1-methoxy-1-oxopropan-2-yl)-1,4a,8-trimethyl-12-oxo-1,2,3,4,4a,5,6,7,12,12a-decahydrobenzo[10]annulen-5-yl butanoate > 3.3811471669999995 > 0 > 2 > 0 > 17.63912943592072 > 14.842167452764151 > -2.8660654062045055 > 116.20000000000002 > 130.7678 > 9 > 1 > 4-(acetyloxy)-2-hydroxy-11-(1-methoxy-1-oxopropan-2-yl)-1,4a,8-trimethyl-12-oxo-1,2,3,4,5,6,7,12a-octahydrobenzo[10]annulen-5-yl butanoate > 0 > NP0305434 > (10z)-4-(acetyloxy)-2-hydroxy-11-(1-methoxy-1-oxopropan-2-yl)-1,4a,8-trimethyl-12-oxo-1,2,3,4,5,6,7,12a-octahydrobenzo[10]annulen-5-yl butanoate $$$$