Mrv1652306192118553D 51 53 0 0 0 0 999 V2000 0.1297 1.5517 -2.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0805 2.2607 -2.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3248 1.7661 -2.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 2.6196 -3.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 0.3493 -2.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7518 0.0133 -2.2203 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7476 -0.4868 -3.2178 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0013 -1.9068 -3.0699 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6088 -2.3438 -1.6583 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1115 -2.4367 -1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7005 -2.5442 -2.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0834 -2.6580 -2.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6686 -2.7132 -1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0339 -2.8620 -1.2278 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6681 -2.9741 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1502 -3.1532 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -2.9302 1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5677 -2.7487 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0053 -2.6967 2.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -2.6315 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4915 -2.4622 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 -2.4040 0.8584 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 -1.0780 1.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2408 -2.5374 -3.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1795 -2.6794 -4.1269 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4572 -2.1120 -5.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -4.1800 -4.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1186 0.6828 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7735 1.2400 -3.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7023 2.2330 -1.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 3.3088 -3.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9387 2.1958 -4.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2337 2.6867 -2.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1589 3.6397 -3.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0701 -2.0950 -3.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0144 -1.6333 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 -3.3282 -1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7043 -2.7289 -3.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 -3.2404 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5983 -2.2982 -0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3817 -4.0602 -0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 -3.0203 2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9656 -0.4209 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9033 -1.1268 2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -0.6481 1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1192 -1.0731 -5.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5229 -2.1548 -5.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9025 -2.6707 -6.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5866 -4.3456 -4.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9506 -4.6979 -4.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2516 -4.6727 -3.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 11 24 1 0 0 0 0 10 9 1 0 0 0 0 9 8 1 0 0 0 0 8 25 1 0 0 0 0 25 24 1 0 0 0 0 20 21 1 0 0 0 0 18 19 2 0 0 0 0 21 10 2 0 0 0 0 21 22 1 0 0 0 0 20 13 2 0 0 0 0 22 23 1 0 0 0 0 15 16 1 0 0 0 0 25 26 1 6 0 0 0 12 11 2 0 0 0 0 8 7 1 0 0 0 0 20 18 1 0 0 0 0 7 5 1 0 0 0 0 11 10 1 0 0 0 0 5 3 1 0 0 0 0 13 14 1 0 0 0 0 3 2 2 0 0 0 0 14 15 1 0 0 0 0 3 4 1 0 0 0 0 15 17 2 0 0 0 0 2 1 1 0 0 0 0 17 18 1 0 0 0 0 25 27 1 0 0 0 0 12 13 1 0 0 0 0 5 6 2 0 0 0 0 17 42 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 12 38 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 8 35 1 6 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 2 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END > NP0024574 > NP-MRD > [H]\C(=C(\C(=O)O[C@]1([H])C([H])([H])C2=C(OC([H])([H])[H])C3=C(OC(=C([H])C3=O)C([H])([H])[H])C([H])=C2OC1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C21H24O6/c1-7-11(2)20(23)26-17-9-13-15(27-21(17,4)5)10-16-18(19(13)24-6)14(22)8-12(3)25-16/h7-8,10,17H,9H2,1-6H3/b11-7-/t17-/m1/s1 > QNOQNIIIQHXDAV-CGICMKJESA-N > C21H24O6 > 372.417 > 372.157288493 > 5 > 51 > 39.70897694182987 > 1 > 0 > 0 > 1 > (6R)-9-methoxy-5,5,13-trimethyl-11-oxo-4,14-dioxatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),2,8,12-tetraen-6-yl (2Z)-2-methylbut-2-enoate > 3.74 > 3.875853229999999 > -4.62 > 0 > 3 > 0 > 15.252878051929017 > -4.540034036810198 > 71.06 > 102.1925 > 4 > 1 > 9.00e-03 g/l > (6R)-9-methoxy-5,5,13-trimethyl-11-oxo-4,14-dioxatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),2,8,12-tetraen-6-yl (2Z)-2-methylbut-2-enoate > 0 > NP0024574 > 2-methylbut-(2Z)-enoic acid (3R)-5-methyoxy-3,4-dihydro-2,2,8-trimethyl-6+ $$$$