Mrv1652309042217402D 53 58 0 0 1 0 999 V2000 1.4394 -2.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 -2.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 -2.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 -1.2560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1025 -1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 -0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2759 0.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0206 1.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4702 0.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 2.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5197 2.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5445 3.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8427 3.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1162 3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0914 2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0948 0.0680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6098 -0.5994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2242 -0.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7387 -1.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 -1.8993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0077 -2.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 -1.7704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9953 -2.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 -3.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7933 -3.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 -3.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 -4.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 -5.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9414 -3.9866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 -3.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -1.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0157 -1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8446 -2.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 -1.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 -2.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -1.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 -0.4972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7079 -0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 0.0863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6651 0.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1348 0.8685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4519 2.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1765 2.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 -0.2881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9097 0.1969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9571 1.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5228 1.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9237 2.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 -0.6913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 1 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 11 16 1 0 0 0 0 7 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 27 32 1 0 0 0 0 23 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 33 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 47 41 1 1 0 0 0 33 47 1 0 0 0 0 47 48 1 0 0 0 0 17 48 1 0 0 0 0 48 49 1 6 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 53 21 1 6 0 0 0 4 53 1 0 0 0 0 17 53 1 0 0 0 0 M END > NP0197421 > NP-MRD > CCC(=O)O[C@H]1[C@@H](C)C[C@@]2(OC(C)=O)[C@H]1[C@@H](OC(C)=O)[C@@]13[C@H](O)O[C@](C)([C@@H]1[C@H](C=C[C@H]3OC(=O)C1=CC=CC=C1)C(C)=C)[C@H]2OC(=O)C1=CC=CN=C1 > InChI=1S/C40H45NO12/c1-8-29(44)50-31-22(4)19-39(52-24(6)43)30(31)33(48-23(5)42)40-28(49-34(45)25-13-10-9-11-14-25)17-16-27(21(2)3)32(40)38(7,53-37(40)47)36(39)51-35(46)26-15-12-18-41-20-26/h9-18,20,22,27-28,30-33,36-37,47H,2,8,19H2,1,3-7H3/t22-,27+,28+,30+,31-,32-,33+,36+,37+,38+,39+,40-/m0/s1 > BEUFBQVEVMOJCV-XMCSAVGTSA-N > C40H45NO12 > 731.795 > 731.294175893 > 8 > 98 > 74.54202589557973 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R,15R)-2,7-bis(acetyloxy)-14-(benzoyloxy)-15-hydroxy-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{3,7}]hexadec-12-en-8-yl pyridine-3-carboxylate > 4.535590754999999 > 1 > 6 > 0 > 11.758044428480869 > 3.2388747075080926 > 173.84999999999997 > 185.97820000000007 > 14 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R,15R)-2,7-bis(acetyloxy)-14-(benzoyloxy)-15-hydroxy-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{3,7}]hexadec-12-en-8-yl pyridine-3-carboxylate > 0 > NP0197421 > (1r,2r,3r,4s,5s,7r,8r,9r,10r,11s,14r,15r)-2,7-bis(acetyloxy)-14-(benzoyloxy)-15-hydroxy-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-8-yl pyridine-3-carboxylate $$$$