Mrv1652309072210172D 54 59 0 0 1 0 999 V2000 1.5134 -2.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 -2.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2048 -2.9225 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 -0.0600 0.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8349 1.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5023 0.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 1.1894 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 -0.2316 -0.1279 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 1.1358 -2.8729 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 2.9616 -2.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8825 -3.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1352 -3.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5589 -3.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3061 -3.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9825 -4.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9117 -4.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1645 -5.2850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4881 -4.8127 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 2.9706 -1.9754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 -2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2644 -1.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1793 -2.7633 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 4.7501 -0.2813 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 3.6922 0.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4072 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3786 2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 0.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8353 1.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5637 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5923 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8926 -0.2822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1642 0.1053 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 1.9408 1.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 1.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7094 1.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 2.5413 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 1 0 0 0 0 11 13 1 0 0 0 0 7 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 24 29 1 0 0 0 0 20 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 30 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 42 47 1 0 0 0 0 48 38 1 1 0 0 0 30 48 1 0 0 0 0 48 49 1 0 0 0 0 14 49 1 0 0 0 0 49 50 1 6 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 54 18 1 6 0 0 0 4 54 1 0 0 0 0 14 54 1 0 0 0 0 M END > NP0246729 > NP-MRD > CC(C)C(=O)O[C@@H]1C=C[C@@H]([C@H]2[C@@]3(C)O[C@@H](O)[C@@]12[C@H](OC(C)=O)[C@H]1[C@@H](OC(=O)C2=CC=CN=C2)[C@@H](C)C[C@]1(OC(C)=O)[C@@H]3OC(=O)C1=CC=CN=C1)C(C)=C > InChI=1S/C40H46N2O12/c1-20(2)27-13-14-28(50-33(45)21(3)4)40-31(27)38(8,54-37(40)48)36(52-35(47)26-12-10-16-42-19-26)39(53-24(7)44)17-22(5)30(29(39)32(40)49-23(6)43)51-34(46)25-11-9-15-41-18-25/h9-16,18-19,21-22,27-32,36-37,48H,1,17H2,2-8H3/t22-,27+,28+,29+,30-,31-,32+,36+,37+,38+,39+,40-/m0/s1 > FHFBBYPYSBCEBC-HNXKBMDOSA-N > C40H46N2O12 > 746.81 > 746.305074929 > 9 > 100 > 75.4720009520399 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R,15R)-2,7-bis(acetyloxy)-15-hydroxy-5,9-dimethyl-14-[(2-methylpropanoyl)oxy]-11-(prop-1-en-2-yl)-4-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{3,7}]hexadec-12-en-8-yl pyridine-3-carboxylate > 3.860904606333332 > 1 > 6 > 0 > 11.75806135972545 > 3.5409155478592464 > 186.73999999999998 > 188.39579999999995 > 14 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R,15R)-2,7-bis(acetyloxy)-15-hydroxy-5,9-dimethyl-14-[(2-methylpropanoyl)oxy]-11-(prop-1-en-2-yl)-4-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{3,7}]hexadec-12-en-8-yl pyridine-3-carboxylate > 0 > NP0246729 > (1r,2r,3r,4s,5s,7r,8r,9r,10r,11s,14r,15r)-2,7-bis(acetyloxy)-15-hydroxy-5,9-dimethyl-14-[(2-methylpropanoyl)oxy]-11-(prop-1-en-2-yl)-4-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-8-yl pyridine-3-carboxylate $$$$