128270 CDK 0510212310 52 55 0 0 0 0 0 0 0 0999 V2000 12.5253 0.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8037 -1.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7905 -2.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9820 2.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6985 1.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -2.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6601 3.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2515 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 -0.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 -1.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0693 -2.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5077 -1.8489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2398 -0.2809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2398 -1.1059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0204 -0.0295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0600 -1.5240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5253 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8108 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0534 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5253 0.1316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0204 -1.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5018 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8108 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2817 -2.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5385 -2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7977 -2.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2767 0.7547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2954 -1.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2398 0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2398 -1.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5066 -2.3894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5134 -1.4942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0665 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0840 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 -3.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6969 -3.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7257 1.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3402 1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1476 1.8791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0846 -1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4038 2.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3749 -1.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1880 2.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6196 2.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6558 -1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 -1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0599 -2.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2269 -1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 -1.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7131 0.0793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 6 0 0 0 32 2 1 6 0 0 0 2 40 1 0 0 0 0 31 3 1 1 0 0 0 4 37 1 0 0 0 0 39 5 1 6 0 0 0 6 40 2 0 0 0 0 7 41 1 0 0 0 0 8 45 1 0 0 0 0 9 48 2 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 50 2 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 29 1 1 0 0 0 14 17 1 0 0 0 0 14 21 1 0 0 0 0 14 30 1 6 0 0 0 15 22 1 0 0 0 0 15 27 1 0 0 0 0 15 52 1 6 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 16 33 1 1 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 26 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 24 31 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 27 34 1 0 0 0 0 27 37 1 6 0 0 0 28 32 1 0 0 0 0 31 32 1 0 0 0 0 34 38 1 0 0 0 0 38 39 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 42 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 49 50 1 0 0 0 0 M END > CHEBI:172809 > Fasciculol F > 2 > [(2R,3R,10S,12S,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate > C39H65NO11 > 723.945 > 723.45576 > 0 > O[C@@H]1[C@]2([C@](C3=C([C@@]4(C(C([C@@H](O)[C@H](OC(=O)CC(O)(CC(=O)NCC(OC)=O)C)C4)(C)C)CC3)C)C1)(CC[C@@]2([C@@H](CC[C@@H](O)C(O)(C)C)CO)[H])C)C > InChI=1S/C39H65NO11/c1-34(2)27-12-11-24-25(16-29(43)39(8)23(14-15-38(24,39)7)22(21-41)10-13-28(42)35(3,4)48)37(27,6)17-26(33(34)47)51-31(45)19-36(5,49)18-30(44)40-20-32(46)50-9/h22-23,26-29,33,41-43,47-49H,10-21H2,1-9H3,(H,40,44)/t22-,23+,26+,27?,28+,29-,33-,36?,37+,38-,39-/m0/s1 > YKNPFZYHSXIFMX-FWXHQPNRSA-N > 65694-21-5 > 65694-21-5 $$$$