Mrv1652309052217502D 57 62 0 0 1 0 999 V2000 1.7716 -2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 -2.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3091 -2.9828 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 -0.0363 1.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 2.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5508 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 1.5992 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 -0.2944 -0.1603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9386 -0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 -0.7205 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 1.2306 -2.8664 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 2.7191 -2.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -3.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8345 -4.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2503 -4.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0139 -3.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6662 -4.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 -5.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7913 -5.5181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -5.0130 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 3.1767 -1.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9512 -2.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6543 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9732 -3.0871 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 4.7256 -0.2657 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 3.6937 0.8942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4066 1.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 2.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 0.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8348 1.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5897 0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8892 -0.2642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1615 0.1245 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 1.9418 1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5512 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7269 1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 2.5133 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 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 15 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 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 45 50 1 0 0 0 0 51 41 1 1 0 0 0 33 51 1 0 0 0 0 51 52 1 0 0 0 0 14 52 1 0 0 0 0 52 53 1 6 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 57 21 1 6 0 0 0 4 57 1 0 0 0 0 14 57 1 0 0 0 0 M END > NP0216026 > NP-MRD > CC(C)C(=O)O[C@@H]1C=C[C@@H]([C@H]2[C@@]3(C)O[C@@H](OC(C)=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/C42H48N2O13/c1-21(2)29-14-15-30(53-35(48)22(3)4)42-33(29)40(9,57-39(42)52-25(7)46)38(55-37(50)28-13-11-17-44-20-28)41(56-26(8)47)18-23(5)32(31(41)34(42)51-24(6)45)54-36(49)27-12-10-16-43-19-27/h10-17,19-20,22-23,29-34,38-39H,1,18H2,2-9H3/t23-,29+,30+,31+,32-,33-,34+,38+,39+,40+,41+,42-/m0/s1 > SZIRICAEOWXPKD-JSBYCAPJSA-N > C42H48N2O13 > 788.847 > 788.315639614 > 9 > 105 > 79.25655393533279 > 0 > 0 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R,15S)-2,7,15-tris(acetyloxy)-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 > 4.302030016666665 > 1 > 6 > 0 > 3.540915549303906 > 192.80999999999997 > 197.54729999999998 > 16 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R,15S)-2,7,15-tris(acetyloxy)-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 > NP0216026 > (1r,2r,3r,4s,5s,7r,8r,9r,10r,11s,14r,15s)-2,7,15-tris(acetyloxy)-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 $$$$