10360513 -OEChem-09272320522D 51 52 0 1 0 0 0 0 0999 V2000 10.7404 -2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4282 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 -1.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -0.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7404 -0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4847 0.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8842 -0.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8842 -2.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -2.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -2.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 0.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 0.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0741 -0.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3569 0.7132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 9 2 1 6 0 0 0 2 21 1 0 0 0 0 3 16 2 0 0 0 0 4 22 1 0 0 0 0 4 24 1 0 0 0 0 5 21 2 0 0 0 0 6 24 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 26 1 1 0 0 0 8 11 1 0 0 0 0 8 27 1 1 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 20 2 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 M END > 10360513 > 1 > 617 > 6 > 0 > 8 > AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAEAAAAAAGgAAAAAADRSggAICCAAABACIAgDSCAAAAAAgAAAACAEAAEgABBIAIQACEAAFwAAIIIPKyPCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(4S)-4-[(3aR,4R,7aR)-4-acetoxy-6-methyl-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-5-yl]pentyl] acetate > acetic acid [(4S)-4-[(3aR,4R,7aR)-4-acetyloxy-6-methyl-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-5-yl]pentyl] ester > [(4S)-4-[(3aR,4R,7aR)-4-acetyloxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl] acetate > [(4S)-4-[(3aR,4R,7aR)-4-acetyloxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl] acetate > [(4S)-4-[(3aR,4R,7aR)-4-acetyloxy-6-methyl-3-methylidene-2-oxidanylidene-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl] ethanoate > acetic acid [(4S)-4-[(3aR,4R,7aR)-4-acetoxy-2-keto-6-methyl-3-methylene-3a,4,7,7a-tetrahydrobenzofuran-5-yl]pentyl] ester > InChI=1S/C19H26O6/c1-10(7-6-8-23-13(4)20)16-11(2)9-15-17(12(3)19(22)25-15)18(16)24-14(5)21/h10,15,17-18H,3,6-9H2,1-2,4-5H3/t10-,15+,17+,18-/m0/s1 > MVCCWTMPDBIKCJ-IMKJFWDFSA-N > 1.9 > 350.17293854 > C19H26O6 > 350.4 > CC1=C(C(C2C(C1)OC(=O)C2=C)OC(=O)C)C(C)CCCOC(=O)C > CC1=C([C@@H]([C@H]2[C@@H](C1)OC(=O)C2=C)OC(=O)C)[C@@H](C)CCCOC(=O)C > 78.9 > 350.17293854 > 0 > 25 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 18 6 9 2 6 7 26 5 8 27 5 $$$$