Mrv1652309102216132D 52 57 0 0 1 0 999 V2000 1.3872 -2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -2.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0492 -2.8785 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 -0.1381 0.9867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 1.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5632 0.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0953 2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8748 2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0305 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 3.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6273 3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4715 2.6146 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 0.9190 -2.8299 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 2.9637 -2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 -3.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8424 -3.7259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 -3.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5281 -4.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8709 -5.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1104 -4.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -4.0839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 -3.5852 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 2.9586 -1.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8002 -1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2899 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1304 -2.7534 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 4.6526 -0.1860 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 3.5964 0.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3598 1.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0658 0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3765 2.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0991 2.5594 0.0000 C 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 1.8908 1.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8031 2.5270 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 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 46 40 1 1 0 0 0 32 46 1 0 0 0 0 46 47 1 0 0 0 0 17 47 1 0 0 0 0 47 48 1 6 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 52 20 1 6 0 0 0 4 52 1 0 0 0 0 17 52 1 0 0 0 0 M END > NP0301338 > 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@@]13CO[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/C40H45NO11/c1-8-30(44)50-32-23(4)19-40(52-25(6)43)31(32)34(48-24(5)42)39-21-47-38(7,37(40)51-36(46)27-15-12-18-41-20-27)33(39)28(22(2)3)16-17-29(39)49-35(45)26-13-10-9-11-14-26/h9-18,20,23,28-29,31-34,37H,2,8,19,21H2,1,3-7H3/t23-,28+,29+,31+,32-,33-,34+,37-,38+,39+,40+/m0/s1 > VVOHQWVWQIGHHS-UXXSSWLWSA-N > C40H45NO11 > 715.796 > 715.299261273 > 7 > 97 > 73.62393804861655 > 0 > 0 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7-bis(acetyloxy)-14-(benzoyloxy)-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 > 4.899814696666667 > 1 > 6 > 0 > 3.2388753109060566 > 153.62 > 184.94830000000007 > 14 > 0 > (1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7-bis(acetyloxy)-14-(benzoyloxy)-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 > NP0301338 > (1r,2r,3r,4s,5s,7r,8s,9r,10r,11s,14r)-2,7-bis(acetyloxy)-14-(benzoyloxy)-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 $$$$