5147169 -OEChem-05092422302D 111117 0 1 0 0 0 0 0999 V2000 5.2768 -5.5682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 -4.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -2.9424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6106 -1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -2.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7160 0.6523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9975 -1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7198 -5.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6422 -4.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 -1.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4912 1.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1302 2.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9395 3.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -3.0663 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4559 -4.0968 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3801 -2.6836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2279 -2.6836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6344 -4.7372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6106 -1.7597 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2279 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5441 -3.3049 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6721 -4.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 -4.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2837 -1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9975 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -0.8358 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0089 -0.0549 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0457 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5255 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3387 -0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8182 1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7419 -5.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9009 -3.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -5.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4572 1.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8669 -3.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1643 2.3253 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 0.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5740 -4.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1257 -2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 3.2912 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5399 -3.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0916 -2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6126 3.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -2.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6807 4.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3537 4.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5785 3.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 4.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0608 5.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2856 4.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0268 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0077 4.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 5.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0418 4.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 5.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 5.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8433 -3.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8186 -2.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -3.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -5.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4714 -2.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0528 -4.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5363 -4.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4869 -5.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 -4.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6582 -1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8384 -0.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 -0.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8532 0.5453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1244 0.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6860 0.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9267 0.4354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4992 -1.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9376 -0.3777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1782 0.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9206 -1.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 -3.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 1.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6772 1.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2145 1.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6117 -5.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6566 -6.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5323 -6.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 2.7637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 0.7580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 0.7580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -0.1188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4135 -4.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6873 -1.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4670 2.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2907 1.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9783 -4.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2521 -1.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5011 3.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3976 -2.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2984 4.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7348 5.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7549 5.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 3.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9004 6.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8845 4.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4652 5.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1682 3.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8944 6.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6034 3.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3296 6.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1841 5.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 2 34 1 0 0 0 0 3 18 1 0 0 0 0 3 35 1 0 0 0 0 4 20 1 0 0 0 0 4 80 1 0 0 0 0 5 22 1 0 0 0 0 5 81 1 0 0 0 0 6 28 1 0 0 0 0 6 37 1 0 0 0 0 7 29 1 0 0 0 0 7 38 1 0 0 0 0 8 27 2 0 0 0 0 9 34 2 0 0 0 0 10 35 2 0 0 0 0 11 37 2 0 0 0 0 12 38 2 0 0 0 0 13 40 1 0 0 0 0 13 95 1 0 0 0 0 14 44 1 0 0 0 0 14 49 1 0 0 0 0 14 98 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 61 1 0 0 0 0 16 19 1 0 0 0 0 16 24 1 0 0 0 0 17 22 1 0 0 0 0 17 27 1 0 0 0 0 17 62 1 0 0 0 0 18 20 1 0 0 0 0 18 63 1 0 0 0 0 19 23 1 0 0 0 0 19 64 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 22 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 29 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 28 1 0 0 0 0 28 72 1 0 0 0 0 29 30 1 0 0 0 0 29 73 1 0 0 0 0 30 33 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 36 1 0 0 0 0 35 39 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 37 41 1 0 0 0 0 38 40 1 0 0 0 0 39 42 2 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 40 88 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 42 45 1 0 0 0 0 42 92 1 0 0 0 0 43 46 2 0 0 0 0 43 93 1 0 0 0 0 44 47 1 0 0 0 0 44 94 1 0 0 0 0 45 48 2 0 0 0 0 45 96 1 0 0 0 0 46 48 1 0 0 0 0 46 97 1 0 0 0 0 47 50 2 0 0 0 0 47 51 1 0 0 0 0 48 99 1 0 0 0 0 49 52 1 0 0 0 0 49100 1 0 0 0 0 49101 1 0 0 0 0 50 53 1 0 0 0 0 50102 1 0 0 0 0 51 54 2 0 0 0 0 51103 1 0 0 0 0 52 56 2 0 0 0 0 52 57 1 0 0 0 0 53 55 2 0 0 0 0 53104 1 0 0 0 0 54 55 1 0 0 0 0 54105 1 0 0 0 0 55106 1 0 0 0 0 56 58 1 0 0 0 0 56107 1 0 0 0 0 57 59 2 0 0 0 0 57108 1 0 0 0 0 58 60 2 0 0 0 0 58109 1 0 0 0 0 59 60 1 0 0 0 0 59110 1 0 0 0 0 60111 1 0 0 0 0 M END > 5147169 > 1 > 1660 > 14 > 4 > 15 > AAADcfB+PAAAAAAAAAAAAAAAAABIAAAAAAAwYMGCAAAaIACBUAAAHgAQCAAAD3zhmAYyCILABgCIAqDSCAKCAAAkAAAIiIFIDMgLNj6AtR2GcQhn8AGbqYfa7PzPgAAAAAAAAABCAAYQADCAAAAAAAAAAA== > [4,12-diacetoxy-15-[3-(benzylamino)-2-hydroxy-3-phenyl-propanoyl]oxy-1,9-dihydroxy-14,17,17-trimethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > benzoic acid [4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-1-oxo-3-phenyl-3-[(phenylmethyl)amino]propoxy]-14,17,17-trimethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ester > [4,12-diacetyloxy-15-[3-(benzylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-14,17,17-trimethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > [4,12-diacetyloxy-15-[3-(benzylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-14,17,17-trimethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > [4,12-diacetyloxy-14,17,17-trimethyl-1,9-bis(oxidanyl)-11-oxidanylidene-15-[2-oxidanyl-3-phenyl-3-[(phenylmethyl)amino]propanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > benzoic acid [4,12-diacetoxy-15-[3-(benzylamino)-2-hydroxy-3-phenyl-propanoyl]oxy-1,9-dihydroxy-11-keto-14,17,17-trimethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ester > InChI=1S/C46H51NO13/c1-25-32(58-43(54)39(52)37(29-17-11-7-12-18-29)47-23-28-15-9-6-10-16-28)22-46(55)41(59-42(53)30-19-13-8-14-20-30)36-34(31(50)21-33-45(36,24-56-33)60-27(3)49)38(51)40(57-26(2)48)35(25)44(46,4)5/h6-20,31-34,36-37,39-41,47,50,52,55H,21-24H2,1-5H3 > AYLHMDCDBUYDGJ-UHFFFAOYSA-N > 2.2 > 825.33604068 > C46H51NO13 > 825.9 > CC1=C2C(C(=O)C3C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NCC6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)OC(=O)C > CC1=C2C(C(=O)C3C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NCC6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)OC(=O)C > 204 > 825.33604068 > 0 > 60 > 0 > 11 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 40 13 3 44 14 3 15 18 3 17 27 3 19 23 3 16 2 3 18 3 3 39 42 8 39 43 8 20 4 3 42 45 8 43 46 8 45 48 8 46 48 8 47 50 8 47 51 8 22 5 3 50 53 8 51 54 8 52 56 8 52 57 8 53 55 8 54 55 8 56 58 8 57 59 8 58 60 8 59 60 8 28 6 3 29 7 3 $$$$