36314 -OEChem-04252416462D 113119 0 1 0 0 0 0 0999 V2000 5.1483 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3178 -4.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 -3.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4821 -1.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -3.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5446 -0.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -1.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 0.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6038 -5.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4245 -2.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7693 0.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3628 1.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0017 1.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2593 5.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 3.3765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1755 -3.2398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3274 -4.2703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2517 -2.8571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5059 -4.9108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0994 -2.8571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4821 -1.9332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4156 -3.4784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5436 -4.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0994 -1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 -5.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1552 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1755 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3278 -2.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 -1.0094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8804 -0.2284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9172 0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3971 0.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2102 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6259 -5.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0019 -3.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -5.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8034 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3287 1.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 -4.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0358 2.1518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0963 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 -4.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5717 -3.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7770 3.1177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7266 -5.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1453 -4.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7228 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4841 3.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 3.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2253 4.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 4.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1571 4.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9324 5.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5863 4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8983 5.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 3.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 5.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9133 4.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 5.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6545 5.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9608 -3.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9897 -5.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 -2.6324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 -3.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9243 -4.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 -5.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 -5.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4645 -4.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5297 -1.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7099 -0.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -1.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -2.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0905 -3.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3726 -0.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4806 -0.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 -0.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 0.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3707 -1.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8091 -0.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0498 -0.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7921 -1.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2935 1.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5487 1.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 0.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -5.4107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5406 -6.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4163 -6.2413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1963 1.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5347 1.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6579 1.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6579 0.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5353 -4.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8337 -3.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6165 3.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 -6.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7630 -4.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1622 1.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0784 -6.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3726 2.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6105 2.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6264 4.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 4.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7719 6.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3367 5.6774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0397 3.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7659 6.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 3.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2011 6.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0556 5.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 25 1 0 0 0 0 17 2 1 1 0 0 0 2 36 1 0 0 0 0 20 3 1 1 0 0 0 3 37 1 0 0 0 0 21 4 1 6 0 0 0 4 84 1 0 0 0 0 22 5 1 6 0 0 0 5 85 1 0 0 0 0 30 6 1 6 0 0 0 6 39 1 0 0 0 0 7 26 2 0 0 0 0 31 8 1 1 0 0 0 8 40 1 0 0 0 0 9 36 2 0 0 0 0 10 37 2 0 0 0 0 11 39 2 0 0 0 0 12 40 2 0 0 0 0 42 13 1 1 0 0 0 13101 1 0 0 0 0 14 53 2 0 0 0 0 46 15 1 1 0 0 0 15 53 1 0 0 0 0 15103 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 63 1 1 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 0 0 0 0 18 29 1 6 0 0 0 19 23 1 0 0 0 0 19 64 1 1 0 0 0 20 21 1 0 0 0 0 20 65 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 28 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 31 32 1 0 0 0 0 31 77 1 0 0 0 0 32 35 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 36 38 1 0 0 0 0 37 41 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 43 1 0 0 0 0 40 42 1 0 0 0 0 41 44 2 0 0 0 0 41 45 1 0 0 0 0 42 46 1 0 0 0 0 42 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 43 95 1 0 0 0 0 44 47 1 0 0 0 0 44 96 1 0 0 0 0 45 48 2 0 0 0 0 45 97 1 0 0 0 0 46 50 1 0 0 0 0 46 98 1 0 0 0 0 47 49 2 0 0 0 0 47 99 1 0 0 0 0 48 49 1 0 0 0 0 48100 1 0 0 0 0 49102 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 51 54 1 0 0 0 0 51104 1 0 0 0 0 52 55 2 0 0 0 0 52105 1 0 0 0 0 53 56 1 0 0 0 0 54 57 2 0 0 0 0 54106 1 0 0 0 0 55 57 1 0 0 0 0 55107 1 0 0 0 0 56 58 2 0 0 0 0 56 59 1 0 0 0 0 57108 1 0 0 0 0 58 60 1 0 0 0 0 58109 1 0 0 0 0 59 61 2 0 0 0 0 59110 1 0 0 0 0 60 62 2 0 0 0 0 60111 1 0 0 0 0 61 62 1 0 0 0 0 61112 1 0 0 0 0 62113 1 0 0 0 0 M END > 36314 > 1 > 1790 > 14 > 4 > 14 > AAADcfB+PAAAAAAAAAAAAAAAAABIAAAAAAAwYMGCAAAaIACBUAAAHgAQCAAAD3zhmAYyCILABgCIAqHSGAKCAAAkAAAIiIFIDMgLNj6AtR2GcQhn9gGbqYfa7PzPgAAAAAAAAABCAAYQADCAAAAAAAAAAA== > [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetoxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > benzoic acid [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-1-oxo-3-phenylpropoxy]-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ester > [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoyl]oxy-10,14,17,17-tetramethyl-1,9-bis(oxidanyl)-11-oxidanylidene-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > benzoic acid [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetoxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoyl]oxy-1,9-dihydroxy-11-keto-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ester > InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 > RCINICONZNJXQF-MZXODVADSA-N > 2.5 > 853.33095530 > C47H51NO14 > 853.9 > CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C > CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C > 221 > 853.33095530 > 0 > 62 > 11 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 42 13 5 46 15 5 16 63 5 18 29 6 19 64 5 17 2 5 20 3 5 21 4 6 41 44 8 41 45 8 44 47 8 45 48 8 47 49 8 48 49 8 22 5 6 50 51 8 50 52 8 51 54 8 52 55 8 54 57 8 55 57 8 56 58 8 56 59 8 58 60 8 59 61 8 30 6 6 60 62 8 61 62 8 31 8 5 $$$$