Mrv1533004201502352D 30 32 0 0 0 0 999 V2000 -0.4302 0.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3732 0.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 1.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 0.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7407 0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -0.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7162 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5382 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5143 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1178 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -0.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4737 -0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 -1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 -0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 -1.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7106 1.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1823 1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8319 2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0043 1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 2.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7729 0.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4225 1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8942 2.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6005 1.4804 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 2 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 11 12 1 4 0 0 0 12 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 14 17 1 0 0 0 0 17 18 1 0 0 0 0 7 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 12 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 10 26 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M END > NP0150605 > NP-MRD > CC(=O)OCC1=C2C(OC1=O)C1OC1(C)CC(OC(C)=O)C=C(C)CC2OC(C)=O > InChI=1S/C21H26O9/c1-10-6-14(27-12(3)23)8-21(5)19(30-21)18-17(16(7-10)28-13(4)24)15(20(25)29-18)9-26-11(2)22/h6,14,16,18-19H,7-9H2,1-5H3 > WYSOXKVYHUNUBW-UHFFFAOYSA-N > C21H26O9 > 422.43 > 422.157682417 > 5 > 56 > 42.221251024422536 > 1 > 0 > 0 > 1 > [6,10-bis(acetyloxy)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradeca-7,11-dien-12-yl]methyl acetate > 1.18 > 0.555843767666666 > -3.43 > 1 > 3 > 0 > 10.110308823119135 > -4.243842705216541 > 117.73000000000002 > 101.49839999999999 > 7 > 1 > 1.57e-01 g/l > [6,10-bis(acetyloxy)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradeca-7,11-dien-12-yl]methyl acetate > 0 > NP0150605 > [6,10-bis(acetyloxy)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradeca-7,11-dien-12-yl]methyl acetate $$$$