104826 -OEChem-05112409392D 86 92 0 1 0 0 0 0 0999 V2000 7.3257 -1.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4134 -2.7374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1093 -3.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5690 -0.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3821 0.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3372 0.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 0.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 5.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 4.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2481 -2.6101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3358 -2.6101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8797 -3.4001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3358 -4.1902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7043 -3.4001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8169 -1.8968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2481 -4.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4808 -2.7374 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6139 -1.0074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7670 -1.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7043 -3.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 -0.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1793 -5.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7255 -1.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 -1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -2.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3971 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0841 -1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9564 -5.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1882 -0.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2457 -5.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7866 -3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0590 -0.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9945 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 -2.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2514 -4.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0924 -3.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5554 1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 -4.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 2.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 2.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0717 3.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9918 2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2899 4.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 3.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 4.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3698 5.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7608 -3.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6469 -4.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0143 -3.9371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1510 -2.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1404 -4.8008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8307 -4.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1626 -2.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7043 -4.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3243 -3.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7043 -2.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1785 -0.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4054 -0.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0435 -2.5108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8208 -1.8809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0412 -2.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0187 0.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5662 -6.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4383 -6.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3467 -5.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 -0.1864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -0.9284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7639 -5.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1487 -6.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1970 -1.5216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6635 -0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9211 -0.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5842 -4.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7067 -2.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3803 -5.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5028 -3.2660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8396 -4.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2922 2.0198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6488 4.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8993 1.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6328 2.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 5.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 6.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1433 6.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 18 4 1 1 0 0 0 4 62 1 0 0 0 0 5 26 2 0 0 0 0 6 29 1 0 0 0 0 6 37 1 0 0 0 0 7 37 2 0 0 0 0 8 43 1 0 0 0 0 8 46 1 0 0 0 0 9 45 1 0 0 0 0 9 83 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 47 1 1 0 0 0 12 13 1 0 0 0 0 12 48 1 1 0 0 0 13 16 1 0 0 0 0 13 22 1 1 0 0 0 14 16 1 0 0 0 0 14 20 1 6 0 0 0 14 49 1 0 0 0 0 15 18 1 0 0 0 0 15 23 1 0 0 0 0 15 50 1 6 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 25 1 0 0 0 0 18 21 1 0 0 0 0 18 26 1 0 0 0 0 19 24 2 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 24 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 28 1 0 0 0 0 22 30 2 0 0 0 0 23 27 2 0 0 0 0 23 59 1 0 0 0 0 24 29 1 0 0 0 0 25 31 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 27 32 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 35 1 0 0 0 0 33 73 1 0 0 0 0 34 36 2 0 0 0 0 34 74 1 0 0 0 0 35 38 2 0 0 0 0 35 75 1 0 0 0 0 36 38 1 0 0 0 0 36 76 1 0 0 0 0 37 39 1 0 0 0 0 38 77 1 0 0 0 0 39 40 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 80 1 0 0 0 0 42 44 2 0 0 0 0 42 81 1 0 0 0 0 43 45 2 0 0 0 0 44 45 1 0 0 0 0 44 82 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 M END > 104826 > 1 > 1330 > 9 > 2 > 9 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASIAAAA0YMEABIgAAACBQAAAGgAACAAADVSgmAIyDoAABgCIAqDSCAICCAAgIAAIiAFGiMgdJjKGNRqicCMlwBEPuYfK7PzOoAABAAAAQADCAAYQADCAAAAAAAAAAA== > [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxy-phenyl)acetate > 2-(4-hydroxy-3-methoxyphenyl)acetic acid [(1R,2R,6R,10S,11R,15R,17R)-6-hydroxy-4,17-dimethyl-15-(1-methylethenyl)-5-oxo-13-(phenylmethyl)-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl ester > [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate > [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate > [(1R,2R,6R,10S,11R,15R,17R)-4,17-dimethyl-6-oxidanyl-5-oxidanylidene-13-(phenylmethyl)-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(3-methoxy-4-oxidanyl-phenyl)ethanoate > 2-(4-hydroxy-3-methoxy-phenyl)acetic acid [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-15-isopropenyl-5-keto-4,17-dimethyl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl ester > InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36?,37-/m1/s1 > DSDNAKHZNJAGHN-IHCAYWNCSA-N > 4.5 > 628.26723285 > C37H40O9 > 628.7 > CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C > C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C > 121 > 628.26723285 > 0 > 46 > 7 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 6 11 47 5 12 48 5 13 22 5 14 20 6 15 50 6 17 25 3 31 33 8 31 34 8 33 35 8 34 36 8 35 38 8 36 38 8 18 4 5 40 41 8 40 42 8 41 43 8 42 44 8 43 45 8 44 45 8 $$$$