Mrv1652304282200312D 63 68 0 0 1 0 999 V2000 0.0188 0.1440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1084 0.9345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3828 1.6093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2294 1.5145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4508 0.6402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8104 -0.0131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4344 -1.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -2.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8879 -2.6134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1407 -2.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 0.4521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8883 1.0683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6279 1.8610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9109 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9833 1.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 2.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6347 3.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9489 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 2.6185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3724 2.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7411 3.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 3.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 2.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 3.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 1.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 0.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 -0.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0142 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -0.6652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3085 -0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4567 -0.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 0.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3726 -1.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 0.0152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5609 0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8038 0.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2425 1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 1.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0599 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0904 0.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 -0.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -1.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 -1.7399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7301 -2.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -0.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8969 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6255 1.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2183 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0297 2.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4926 1.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9021 0.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2103 0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2554 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 -1.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5787 -1.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3823 -1.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6224 -0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 4 14 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 4 20 1 6 0 0 0 19 21 1 6 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 2 33 1 6 0 0 0 30 34 1 1 0 0 0 30 35 1 6 0 0 0 27 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 26 39 1 0 0 0 0 12 40 1 1 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 11 44 1 1 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 5 48 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 3 53 1 6 0 0 0 3 54 1 0 0 0 0 1 55 1 1 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 58 63 1 0 0 0 0 M END > NP0051086 > NP-MRD > CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]11O[C@@]3(C)COC(=O)C3=C(CC[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)C4=CC=CC=C4)[C@@H]2OC(C)=O)[C@]1(C)O)N=CC=C3 > InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32?,33+,34-,35+,39-,40+,41+,42-,43+/m1/s1 > XQDBHSNYTFRCNJ-FRHHWUQZSA-N > C43H49NO19 > 883.853 > 883.289878362 > 12 > 112 > 85.55984038447635 > 0 > 2 > 0 > 0 > (1S,3R,15R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0^{1,21}.0^{3,24}.0^{7,12}]hexacosa-7(12),8,10-trien-19-yl benzoate > 2.09 > 0.7314916069999978 > -3.52 > 1 > 6 > 0 > 12.962389952030911 > 12.344904248638347 > 2.714867408717063 > 272.97999999999996 > 205.1246 > 14 > 0 > 2.70e-01 g/l > (1S,3R,15R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0^{1,21}.0^{3,24}.0^{7,12}]hexacosa-7(12),8,10-trien-19-yl benzoate > 0 > NP0051086 > Wilfordin $$$$