Mrv1652309072204252D 50 55 0 0 1 0 999 V2000 6.9438 -2.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9490 -1.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6661 -1.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2197 -1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4656 -0.7013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8287 0.0395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6793 0.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 0.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5072 0.2279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9443 1.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4461 1.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 2.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2693 1.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8323 0.7024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7812 1.6470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 2.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5936 2.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 3.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0196 0.5607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7705 1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 -0.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6867 -0.9269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0070 -1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2238 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4728 -1.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3035 -0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3616 -1.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6192 -1.7611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6695 -2.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 -3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5922 -4.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 -3.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9438 -4.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1195 -4.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2618 -3.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -2.6057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0053 -2.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 -1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9961 -0.4752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7385 -0.1155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4213 -0.5786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0558 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3164 0.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6261 1.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1743 -1.2597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5195 -2.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2588 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8175 -3.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 -3.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6489 -0.5849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 14 9 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 19 14 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 6 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 32 37 1 0 0 0 0 28 38 1 0 0 0 0 39 38 1 6 0 0 0 40 39 1 0 0 0 0 41 40 1 6 0 0 0 41 19 1 0 0 0 0 27 41 1 0 0 0 0 40 42 1 6 0 0 0 39 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 27 45 1 0 0 0 0 45 46 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 45 50 1 0 0 0 0 50 5 1 6 0 0 0 50 9 1 0 0 0 0 M END > NP0242168 > NP-MRD > C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@@]13[C@@H](OC(C)=O)O[C@](C)([C@@H]1[C@@H]1[C@H](C[C@H]3OC(=O)C3=CC=CN=C3)C1(C)C)[C@@H]2OC(C)=O > InChI=1S/C36H45NO13/c1-16-14-35(49-21(6)42)26(27(16)44-17(2)38)29(45-18(3)39)36-24(48-30(43)22-11-10-12-37-15-22)13-23-25(33(23,7)8)28(36)34(9,31(35)46-19(4)40)50-32(36)47-20(5)41/h10-12,15-16,23-29,31-32H,13-14H2,1-9H3/t16-,23-,24+,25-,26+,27-,28-,29+,31-,32-,34+,35+,36-/m0/s1 > HELDDHKCYSRHNP-GBEKXHNUSA-N > C36H45NO13 > 699.75 > 699.289090513 > 8 > 95 > 70.01471688453657 > 0 > 0 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,13S,15R,16R)-2,4,7,8,16-pentakis(acetyloxy)-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0^{1,10}.0^{3,7}.0^{11,13}]heptadecan-15-yl pyridine-3-carboxylate > 2.0098688713333326 > 1 > 6 > 0 > 3.2408574393236 > 179.92 > 167.11169999999998 > 13 > 0 > (1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,13S,15R,16R)-2,4,7,8,16-pentakis(acetyloxy)-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0^{1,10}.0^{3,7}.0^{11,13}]heptadecan-15-yl pyridine-3-carboxylate > 0 > NP0242168 > (1r,2r,3r,4s,5s,7r,8s,9r,10r,11s,13s,15r,16r)-2,4,7,8,16-pentakis(acetyloxy)-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl pyridine-3-carboxylate $$$$