148124 -OEChem-04232416272D 111116 0 1 0 0 0 0 0999 V2000 5.1483 -6.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3178 -4.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 -3.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4821 -2.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -3.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -2.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5446 -0.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 0.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6038 -5.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4245 -2.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3628 1.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0017 1.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5863 4.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2593 4.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 3.0229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1755 -3.5934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3274 -4.6239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2517 -3.2107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5059 -5.2643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0994 -3.2107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4821 -2.2868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4156 -3.8320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5436 -4.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0994 -1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 -5.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -2.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1552 -1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1755 -0.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3278 -2.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 -1.3629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8804 -0.5819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9172 -0.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3971 -0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2102 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6259 -5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0019 -3.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -6.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3287 1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 -4.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0358 1.7982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1530 -5.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5717 -4.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7770 2.7641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7266 -6.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1453 -5.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7228 -6.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4841 3.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2253 4.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 3.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 3.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9324 5.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1571 3.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8983 4.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 5.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 6.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 4.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2934 5.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9608 -3.9186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9897 -5.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 -2.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 -4.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9243 -4.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 -5.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 -5.9379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4645 -5.0669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5297 -2.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7099 -1.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -2.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -2.5907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0905 -3.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3726 -0.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4806 -0.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 -0.4126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 0.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 -0.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3707 -1.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8091 -0.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0498 -0.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7921 -1.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2935 0.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5487 1.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -0.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -5.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5406 -6.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4163 -6.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 2.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5353 -5.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8337 -3.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6165 3.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 -6.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7630 -5.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1622 0.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0784 -6.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3726 2.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6264 4.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6105 2.6135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7719 5.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 3.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3367 5.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6675 6.3400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9082 6.7784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 6.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2011 5.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7627 4.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 4.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4539 4.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 5.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 6.0713 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 80 1 0 0 0 0 22 5 1 6 0 0 0 5 81 1 0 0 0 0 6 26 2 0 0 0 0 30 7 1 6 0 0 0 7 85 1 0 0 0 0 31 8 1 1 0 0 0 8 39 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 41 12 1 1 0 0 0 12 95 1 0 0 0 0 13 51 1 0 0 0 0 13 55 1 0 0 0 0 14 51 2 0 0 0 0 44 15 1 1 0 0 0 15 51 1 0 0 0 0 15 97 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 59 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 60 1 1 0 0 0 20 21 1 0 0 0 0 20 61 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 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 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 65 1 0 0 0 0 25 66 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 31 32 1 0 0 0 0 31 73 1 0 0 0 0 32 35 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 38 1 0 0 0 0 37 40 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 39 41 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 41 44 1 0 0 0 0 41 89 1 0 0 0 0 42 45 1 0 0 0 0 42 90 1 0 0 0 0 43 46 2 0 0 0 0 43 91 1 0 0 0 0 44 48 1 0 0 0 0 44 92 1 0 0 0 0 45 47 2 0 0 0 0 45 93 1 0 0 0 0 46 47 1 0 0 0 0 46 94 1 0 0 0 0 47 96 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 49 52 1 0 0 0 0 49 98 1 0 0 0 0 50 53 2 0 0 0 0 50 99 1 0 0 0 0 52 54 2 0 0 0 0 52100 1 0 0 0 0 53 54 1 0 0 0 0 53101 1 0 0 0 0 54102 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 56103 1 0 0 0 0 56104 1 0 0 0 0 56105 1 0 0 0 0 57106 1 0 0 0 0 57107 1 0 0 0 0 57108 1 0 0 0 0 58109 1 0 0 0 0 58110 1 0 0 0 0 58111 1 0 0 0 0 M END > 148124 > 1 > 1660 > 14 > 5 > 13 > AAADcfB+PAAAAAAAAAAAAAAAAABIAAAAAAAwYMEAAAAaIACBQAAAHgAQCAAAD3zhmAYyCILABgCIAqDSGAKCAAAkAAAIiIFIDMkLNj6AtRmOcQhn9gEbuYfa7PzPgAAAAAAAAABCAAYQADCAAAAAAAAAAA== > [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetoxy-15-[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoyl]oxy-1,9,12-trihydroxy-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-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropoxy]-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-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-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-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-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-acetyloxy-10,14,17,17-tetramethyl-15-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-3-phenyl-propanoyl]oxy-1,9,12-tris(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-acetoxy-15-[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoyl]oxy-1,9,12-trihydroxy-11-keto-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ester > InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1 > ZDZOTLJHXYCWBA-VCVYQWHSSA-N > 1.6 > 807.34660536 > C43H53NO14 > 807.9 > CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O > 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)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O > 224 > 807.34660536 > 0 > 58 > 11 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 41 12 5 44 15 5 16 59 5 18 29 6 19 60 5 17 2 5 20 3 5 21 4 6 40 42 8 40 43 8 42 45 8 43 46 8 45 47 8 46 47 8 48 49 8 48 50 8 49 52 8 22 5 6 50 53 8 52 54 8 53 54 8 30 7 6 31 8 5 $$$$