CDK 1028232201 49 53 0 0 0 0 0 0 0 0999 V2000 5.1177 -4.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0543 -4.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 -3.7382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 -2.8876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9210 -4.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.0738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4303 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 -5.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 -3.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4862 -4.8942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4303 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0014 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1536 -5.3791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5747 -5.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -4.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -5.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2869 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0674 -6.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7348 -6.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 -0.8250 0.0000 C 0 0 2 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 2.8579 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5738 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2882 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2882 -3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 O 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 0 0 0 0 5 3 1 1 0 0 0 4 6 1 1 0 0 0 7 4 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 6 0 0 0 7 12 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 10 17 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 1 0 0 0 14 21 1 6 0 0 0 14 22 1 0 0 0 0 23 14 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 1 0 0 0 18 26 1 0 0 0 0 27 21 1 0 0 0 0 23 28 1 6 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 32 2 0 0 0 0 27 33 1 1 0 0 0 34 27 1 0 0 0 0 30 35 2 0 0 0 0 36 32 1 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 34 39 1 6 0 0 0 40 35 1 0 0 0 0 35 41 1 0 0 0 0 36 42 1 6 0 0 0 37 43 1 0 0 0 0 40 44 1 1 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 13 16 1 0 0 0 0 15 22 1 1 0 0 0 19 20 1 0 0 0 0 29 34 1 0 0 0 0 36 40 1 0 0 0 0 M END > CHEBI:198919 > UK-78629 > 2 > [(1R,3'R,4S,5'S,6S,6'S,8R,10Z,12R,13S,14Z,16Z,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate > C39H56O10 > 684.867 > 684.38735 > 0 > O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)C[C@H]3O)O[C@@H](C2)CC=C([C@H](OC(=O)C(C)C)[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)[C@H]5OC4)C)O)C)C > InChI=1S/C39H56O10/c1-10-22(4)33-26(8)17-31(40)38(49-33)19-29-18-28(48-38)15-14-24(6)32(47-36(41)21(2)3)23(5)12-11-13-27-20-45-35-34(44-9)25(7)16-30(37(42)46-29)39(27,35)43/h10-14,16,21,23,26,28-35,40,43H,15,17-20H2,1-9H3/b12-11-,22-10+,24-14-,27-13-/t23-,26-,28+,29-,30-,31+,32+,33+,34+,35+,38-,39+/m0/s1 > OSQLEUPDNRRMMI-UHRMOPDZSA-N $$$$