44 46 0 0001 0 0 0 0 0999 V2000 16.7224 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.9904 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.4824 -2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.4824 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 19.3885 -1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 19.3885 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.8564 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.8564 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.7224 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.7224 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.8564 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 1 36 1 0 2 29 1 0 2 37 1 0 3 36 2 0 4 37 2 0 5 6 1 0 5 10 1 0 5 14 1 6 6 8 1 0 7 9 1 0 7 11 1 0 7 16 1 6 8 9 1 0 10 12 1 0 11 15 1 0 12 13 1 0 13 17 1 0 15 18 1 0 17 19 1 0 17 20 1 0 18 21 1 0 21 22 2 0 21 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 25 27 2 0 26 29 2 0 26 31 1 0 27 28 1 0 28 30 1 0 28 32 2 0 29 30 1 0 30 33 2 0 32 34 1 0 33 35 1 0 34 35 2 0 36 38 1 0 37 39 1 0 39 40 2 0 39 41 1 0 40 42 1 0 41 43 2 0 42 44 2 0 43 44 1 0 M END > 25 26 8 25 27 8 26 29 8 27 28 8 28 30 8 28 32 8 29 30 8 30 33 8 32 34 8 33 35 8 34 35 8 39 40 8 39 41 8 40 42 8 41 43 8 42 44 8 43 44 8 5 14 6 7 16 6 > InChI=1S/C40H54O4/c1-28(2)16-13-17-29(3)18-14-19-30(4)20-15-21-31(5)26-27-35-32(6)38(44-40(42)34-22-9-8-10-23-34)36-24-11-12-25-37(36)39(35)43-33(7)41/h8-12,22-26,28-30H,13-21,27H2,1-7H3/b31-26+/t29-,30-/m1/s1 > VPUHZZJPWXOIGK-KONNFPMYSA-N > 1/0/N:19,20,14,16,23,31,38,44,42,43,35,34,12,8,15,13,10,6,9,11,18,40,41,33,32,22,24,17,5,7,21,26,36,39,25,30,28,29,27,37,3,4,1,2/E:(1,2)(9,10)(22,23)/it:im/rA:98cOOOOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s6;s7s8;s5;s7;s10;s12;N5;s11;N7;s13;s15;s17;s17;s18;d21;s21;s22;s24;s25;s1d25;s27;s2d26;s28s29;s26;d28;d30;s32;s33d34;s1d3;s2d4;s36;s37;d39;s39;s40;d41;d42s43;s5;s6;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;s17;s18;s18;s19;s19;s19;s20;s20;s20;s22;s23;s23;s23;s24;s24;s31;s31;s31;s32;s33;s34;s35;s38;s38;s38;s40;s41;s42;s43;s44;/rC:16.7224,-3,0;16.7224,1,0;14.9904,-3,0;14.9904,1,0;6.3301,-2,0;7.1962,-1.5,0;9.7942,-2,0;8.0622,-2,0;8.9282,-1.5,0;5.4641,-1.5,0;10.6603,-1.5,0;4.5981,-2,0;3.7321,-1.5,0;6.3301,-3,0;11.5263,-2,0;9.7942,-3,0;2.866,-2,0;12.3923,-1.5,0;2,-1.5,0;2.866,-3,0;13.2583,-2,0;14.1244,-1.5,0;13.2583,-3,0;14.9904,-2,0;15.8564,-1.5,0;15.8564,-.5,0;16.7224,-2,0;17.5885,-1.5,0;16.7224,0,0;17.5885,-.5,0;14.9904,0,0;18.4824,-2.0347,0;18.4824,.0347,0;19.3885,-1.5208,0;19.3885,-.4792,0;15.8564,-3.5,0;15.8564,1.5,0;15.8564,-4.5,0;15.8564,2.5,0;14.9904,3,0;16.7224,3,0;14.9904,4,0;16.7224,4,0;15.8564,4.5,0;6.8671,-2.31,0;6.7976,-1.0251,0;7.5947,-1.0251,0;9.2573,-2.31,0;7.6636,-2.4749,0;8.4607,-2.4749,0;9.3267,-1.0251,0;8.5297,-1.0251,0;5.0656,-1.0251,0;5.8626,-1.0251,0;11.0588,-1.0251,0;10.2617,-1.0251,0;4.1995,-2.4749,0;4.9966,-2.4749,0;3.3335,-1.0251,0;4.1306,-1.0251,0;6.9501,-3,0;6.3301,-3.62,0;5.7101,-3,0;11.1278,-2.4749,0;11.9248,-2.4749,0;10.4142,-3,0;9.7942,-3.62,0;9.1742,-3,0;2.866,-1.38,0;11.9938,-1.0251,0;12.7908,-1.0251,0;1.4631,-1.19,0;2.31,-.9631,0;1.69,-2.0369,0;2.246,-3,0;3.486,-3,0;2.866,-3.62,0;14.1244,-.88,0;13.8783,-3,0;13.2583,-3.62,0;12.6383,-3,0;15.3889,-2.4749,0;14.5919,-2.4749,0;14.4534,.31,0;15.3004,.5369,0;14.6804,-.5369,0;18.4752,-2.6546,0;18.4752,.6546,0;19.9242,-1.8329,0;19.9242,-.1671,0;16.4764,-4.5,0;15.8564,-5.12,0;15.2364,-4.5,0;14.4534,2.69,0;17.2594,2.69,0;14.4534,4.31,0;17.2594,4.31,0;15.8564,5.12,0; > C40 H54 O4 > 598.8544 > O(C(C([H])([H])[H])=O)C1C2=C([H])C([H])=C([H])C([H])=C2C(=C(C([H])([H])[H])C=1C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])OC(C1C([H])=C([H])C([H])=C([H])C=1[H])=O > 9988678 $$$$