CDK 1030232201 50 59 0 0 0 0 0 0 0 0999 V2000 6.6065 8.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8921 8.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8921 7.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 8.8704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1775 7.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6065 7.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 9.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 8.4579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1775 6.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 7.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6065 6.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1855 9.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7906 9.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 10.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 9.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8921 5.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5645 5.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0654 9.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2369 8.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7205 5.1759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 5.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 5.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 4.5376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 4.9501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2869 3.7126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0751 4.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0014 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 3.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6735 2.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.4751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0014 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 2.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 2.0626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8580 2.0626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2869 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1435 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8580 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 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 6 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 8 4 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 1 0 0 0 25 23 1 0 0 0 0 23 26 1 1 0 0 0 24 27 1 0 0 0 0 28 25 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 6 0 0 0 27 31 1 0 0 0 0 28 32 1 1 0 0 0 33 28 1 0 0 0 0 29 34 1 0 0 0 0 33 35 1 1 0 0 0 36 33 1 0 0 0 0 37 33 1 0 0 0 0 36 38 1 6 0 0 0 39 37 1 0 0 0 0 40 38 1 6 0 0 0 39 41 1 1 0 0 0 40 42 1 0 0 0 0 43 41 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 42 46 1 0 0 0 0 43 47 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 8 10 1 1 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 20 21 1 0 0 0 0 23 24 1 0 0 0 0 28 31 1 0 0 0 0 34 36 1 0 0 0 0 37 35 1 1 0 0 0 39 40 1 0 0 0 0 43 44 1 0 0 0 0 M END > CHEBI:214722 > Lolitrem C > 2 > (1S,9R,13R,19S,22S,23S,25R,26R,28S,31S,33S,36R)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-28-(2-methylpropyl)-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one > C42H57NO7 > 687.918 > 687.41350 > 0 > O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H]9O[C@H](CC(C)C)OC([C@H]9O7)(C)C)C)O)C=C2)C[C@@H]%10[C@@H]1C(OC%10(C)C)(C)C > InChI=1S/C42H57NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,20-21,25,27-28,30,32,34-35,43,45H,13-19H2,1-10H3/t21-,25+,27-,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1 > LUFWRTHVYHNYCL-WZGHVFPCSA-N $$$$