108058 -OEChem-03192401572D 75 79 0 1 0 0 0 0 0999 V2000 3.8611 -0.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1003 1.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 4.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9381 3.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6787 -5.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.2396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.2396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.2396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.7396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.2396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2549 -1.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2662 -1.3352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4480 2.7811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0624 -2.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6537 -2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2401 1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 -2.7963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3461 3.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4481 2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9381 3.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6313 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0219 -3.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2781 -4.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8874 -4.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6841 -5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8211 0.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1969 2.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -1.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -0.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 -2.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -2.8687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 1.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4967 -3.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 3.9289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4409 3.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 2.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4553 2.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 3.0960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5008 -2.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2374 -2.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 -1.7406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6718 -4.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4541 -4.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3736 -5.9099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4514 5.6895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6018 5.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3847 5.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -2.7604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -2.7604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 15 2 1 6 0 0 0 2 33 1 0 0 0 0 3 24 2 0 0 0 0 4 29 1 0 0 0 0 4 38 1 0 0 0 0 5 29 2 0 0 0 0 6 31 1 0 0 0 0 6 39 1 0 0 0 0 7 31 2 0 0 0 0 8 35 1 0 0 0 0 8 37 1 0 0 0 0 9 33 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 1 0 0 0 11 12 1 0 0 0 0 11 20 1 1 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 1 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 1 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 42 1 6 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 21 1 0 0 0 0 17 44 1 6 0 0 0 18 26 1 0 0 0 0 18 27 1 1 0 0 0 18 29 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 31 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 25 1 0 0 0 0 22 30 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 28 1 0 0 0 0 25 32 1 6 0 0 0 25 55 1 0 0 0 0 26 28 2 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 36 1 0 0 0 0 34 37 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 M END > 108058 > 1 > 1160 > 9 > 0 > 8 > AAADcfB4PAAAAAAAAAAAAAAAAAAAASJEAAAwQAAAAAAQAEiBgAAAGgAAAAAADxSgmAIyDIAABECIAqjSiAACCAAkIAAIiAEGCMgNJhIENQqCGSCkwBEKKYPK7vzvgAAAAAAAAADAAAYAADCAAAAAAAAAAA== > methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-acetoxy-13-(3-furyl)-9-(2-methoxy-2-oxo-ethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate > (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-acetyloxy-13-(3-furanyl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylic acid methyl ester > methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-acetyloxy-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate > methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-acetyloxy-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate > methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-acetyloxy-13-(furan-3-yl)-9-(2-methoxy-2-oxidanylidene-ethyl)-4,8,10,12-tetramethyl-7-oxidanylidene-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate > (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-acetoxy-13-(3-furyl)-7-keto-9-(2-keto-2-methoxy-ethyl)-4,8,10,12-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylic acid methyl ester > InChI=1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1 > NHOIBRJOQAYBJT-IMGVWCFESA-N > 2.3 > 540.23593272 > C30H36O9 > 540.6 > CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C(C4OC(=O)C)C(C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C > CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@H]4OC(=O)C)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C > 118 > 540.23593272 > 0 > 39 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 19 5 11 20 5 12 23 5 13 41 5 14 42 6 17 44 6 18 27 5 15 2 6 25 32 6 32 34 8 32 35 8 34 37 8 8 35 8 8 37 8 $$$$