Mrv1652304282205462D 29 31 0 0 1 0 999 V2000 4.0440 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 0.3930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3809 0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9037 -0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -0.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7983 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 -1.2843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4614 -0.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2755 -0.3788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9755 0.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 -0.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8599 1.2827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3152 1.9022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0510 1.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 2.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 1.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8173 0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -2.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6722 1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3353 1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 2.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1494 1.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 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 2 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 13 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 6 0 0 0 15 19 1 1 0 0 0 10 20 1 1 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 9 24 1 6 0 0 0 7 25 1 0 0 0 0 3 26 1 0 0 0 0 1 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M END > NP0058414 > NP-MRD > C[C@H]1O[C@@]1(C)C(=O)O[C@H]1[C@H]2[C@@H](OC(=O)C2=C)\C=C(C)/CC\C=C(C)/[C@@H]1OC(C)=O > InChI=1S/C22H28O7/c1-11-8-7-9-12(2)18(26-15(5)23)19(28-21(25)22(6)14(4)29-22)17-13(3)20(24)27-16(17)10-11/h9-10,14,16-19H,3,7-8H2,1-2,4-6H3/b11-10-,12-9-/t14-,16+,17-,18+,19+,22-/m1/s1 > WMCCWRHFUWISGU-ISHUHLBHSA-N > C22H28O7 > 404.459 > 404.183503242 > 4 > 57 > 41.74526670099471 > 1 > 0 > 0 > 1 > (3aR,4S,5S,11aS)-5-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2R,3R)-2,3-dimethyloxirane-2-carboxylate > 2.40 > 3.149910233 > -4.07 > 0 > 3 > 0 > -4.29497881866335 > 91.43 > 104.38939999999998 > 5 > 1 > 3.45e-02 g/l > (3aR,4S,5S,11aS)-5-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2R,3R)-2,3-dimethyloxirane-2-carboxylate > 0 > NP0058414 > 8-(2R,3R,Epoxy-2-methylbutanoyl)-8alpha,9beta-dihydroxy-1(10)E,4E,11(13)-germacratrien-12,6beta-olide $$$$