71463992 -OEChem-09272320532D 63 64 0 1 0 0 0 0 0999 V2000 3.5836 -1.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 -2.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -4.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6191 -3.8260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -0.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3958 0.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5298 -1.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2619 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1279 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6191 -1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2729 1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 -2.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 -3.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -3.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 0.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9328 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -1.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8725 -0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6079 -0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3400 -3.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7385 -2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -2.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2206 -1.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 1.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 1.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3034 -2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8005 -2.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 -3.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 3.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8589 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0858 2.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5079 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -6.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7479 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9158 5.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5173 4.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -3.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3501 -4.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -4.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 11 2 1 6 0 0 0 2 25 1 0 0 0 0 19 3 1 6 0 0 0 3 27 1 0 0 0 0 4 18 2 0 0 0 0 5 22 1 0 0 0 0 5 29 1 0 0 0 0 6 25 2 0 0 0 0 7 27 2 0 0 0 0 8 29 2 0 0 0 0 9 32 1 0 0 0 0 9 63 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 1 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 6 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 18 1 0 0 0 0 14 23 2 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 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 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 31 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 33 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > 71463992 > 1 > 909 > 9 > 1 > 9 > AAADceB4PAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAACAAAAAGgAACAAADRSggAICCAAABgCIAiDSCAAAAAAgAAAACAEAAEgAFBIAIQACEAAFwAAIMYPKyDCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(3aR,4R,6Z,9S,10E,11aR)-9-acetoxy-6-(acetoxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methyl-but-2-enoate > (E)-4-hydroxy-2-methyl-2-butenoic acid [(3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester > [(3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate > [(3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate > [(3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate > (E)-4-hydroxy-2-methyl-but-2-enoic acid [(3aR,4R,6Z,9S,10E,11aR)-9-acetoxy-6-(acetoxymethyl)-2-keto-10-methyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester > InChI=1S/C24H30O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,19-22,25H,3,7,9,11-12H2,1-2,4-5H3/b13-8+,14-10+,18-6-/t19-,20+,21+,22-/m0/s1 > HPWMABTYJYZFLK-FHEQDPKSSA-N > 1.2 > 462.18898253 > C24H30O9 > 462.5 > CC1=CC2C(C(CC(=CCC1OC(=O)C)COC(=O)C)OC(=O)C(=CCO)C)C(=C)C(=O)O2 > C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/C[C@@H]1OC(=O)C)/COC(=O)C)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O2 > 125 > 462.18898253 > 0 > 33 > 4 > 0 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 10 34 5 12 36 6 11 2 6 19 3 6 $$$$