Mrv1652309062204342D 51 56 0 0 1 0 999 V2000 1.4565 -2.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6927 -2.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1349 -2.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 -1.2553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0603 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2166 0.1601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1396 0.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9392 1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5661 0.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0901 2.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 2.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0189 3.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 3.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 3.4260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4631 2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 0.0699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5597 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6985 -1.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -1.8935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0508 -2.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -1.7547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9526 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 -3.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5173 -3.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 -3.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0091 -4.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -4.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5882 -4.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6754 -3.6675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4295 -3.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 -1.0815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9199 -1.9470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7812 -1.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2191 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1678 -2.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -1.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8439 -0.4613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6575 -0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 0.1151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6145 0.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3999 1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4482 2.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0891 0.8672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 -0.2682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8499 0.2087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6543 1.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 1.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7123 2.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 2.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 -0.6854 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 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 23 1 1 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 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 26 31 1 0 0 0 0 22 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 40 41 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 45 40 1 1 0 0 0 32 45 1 0 0 0 0 45 46 1 0 0 0 0 17 46 1 0 0 0 0 46 47 1 6 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 51 20 1 6 0 0 0 4 51 1 0 0 0 0 17 51 1 0 0 0 0 M END > NP0224252 > NP-MRD > C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@@]13CO[C@](C)([C@@H]1[C@H](C=C[C@H]3OC(=O)C1=CC=CN=C1)C(C)=C)[C@@H]2OC(=O)C1=CC=CN=C1 > InChI=1S/C38H42N2O11/c1-20(2)27-12-13-28(49-33(44)25-10-8-14-39-17-25)37-19-46-36(7,31(27)37)35(50-34(45)26-11-9-15-40-18-26)38(51-24(6)43)16-21(3)30(47-22(4)41)29(38)32(37)48-23(5)42/h8-15,17-18,21,27-32,35H,1,16,19H2,2-7H3/t21-,27+,28+,29+,30-,31-,32+,35-,36+,37+,38+/m0/s1 > FYIFMJORFGEHIK-JVHVZTGESA-N > C38H42N2O11 > 702.757 > 702.27886018 > 8 > 93 > 70.94860311503012 > 0 > 0 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,4,7-tris(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{3,7}]hexadec-12-en-14-yl pyridine-3-carboxylate > 2.9816064226666668 > 1 > 6 > 0 > 3.539791880731905 > 166.51 > 178.16450000000003 > 13 > 0 > (1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,4,7-tris(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{3,7}]hexadec-12-en-14-yl pyridine-3-carboxylate > 0 > NP0224252 > (1r,2r,3r,4s,5s,7r,8s,9r,10r,11s,14r)-2,4,7-tris(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-14-yl pyridine-3-carboxylate $$$$