45106988 -OEChem-03282417432D 77 82 0 1 0 0 0 0 0999 V2000 8.1173 -2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4596 -3.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7243 -3.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 2.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1376 3.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 0.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8111 2.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3722 -0.3055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 0.6807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1173 -1.1340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2513 -1.6340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1173 -0.1340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3853 -1.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4753 -1.6408 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4673 -2.6824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0636 0.1707 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2513 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3853 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0636 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2674 -2.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3693 -3.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6472 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5484 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1173 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5318 -3.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 -1.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3092 -0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5922 -2.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3742 1.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7878 1.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3258 1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3275 2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2691 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1031 2.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8741 2.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 2.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 3.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 3.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9907 -2.0533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1214 -0.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6760 0.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6498 0.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8528 0.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1732 0.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7747 -0.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -2.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6009 -1.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4854 -3.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8765 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 -3.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7703 -3.6761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1080 -1.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1080 -0.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9567 -0.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1585 -0.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7373 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1173 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4973 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1345 -3.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9328 -3.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -1.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9889 -1.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7872 -0.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -3.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6543 -2.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9202 -3.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3278 2.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3264 1.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8268 1.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 -2.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6842 1.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 1.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 4.0339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 3.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 4.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2891 2.6985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 66 1 0 0 0 0 2 15 1 0 0 0 0 2 67 1 0 0 0 0 28 3 1 6 0 0 0 3 71 1 0 0 0 0 4 30 1 0 0 0 0 4 32 1 0 0 0 0 5 32 2 0 0 0 0 6 33 2 0 0 0 0 7 35 1 0 0 0 0 7 77 1 0 0 0 0 8 9 1 0 0 0 0 8 27 2 0 0 0 0 9 33 1 0 0 0 0 9 72 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 40 1 1 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 6 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 27 1 0 0 0 0 15 21 1 0 0 0 0 15 25 1 0 0 0 0 16 22 1 0 0 0 0 16 29 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 26 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 28 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 28 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 32 1 0 0 0 0 31 70 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 35 37 2 0 0 0 0 36 38 1 0 0 0 0 36 73 1 0 0 0 0 37 39 1 0 0 0 0 37 74 1 0 0 0 0 38 39 2 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 M END > 45106988 > 1 > 1080 > 8 > 5 > 4 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAYIAAAAwYMGAAAAAAGDBAAAAHgAYCAAAD1ThmAYyDoBiBgCoAjHzGACSAAAkIAAaiAEmDMgINjaCtROCcUBn6BEIuYeY6PyPgAAAAAAIAADAAAYQADAAAYAADAAAAA== > 2-hydroxy-N-[(E)-[(3R,8R,9S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyleneamino]benzamide > 2-hydroxy-N-[(E)-[(3R,8R,9S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methylideneamino]benzamide > 2-hydroxy-N-[(E)-[(3R,8R,9S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methylideneamino]benzamide > 2-hydroxy-N-[(E)-[(3R,8R,9S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methylideneamino]benzamide > N-[(E)-[(3R,8R,9S)-13-methyl-3,5,14-tris(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methylideneamino]-2-oxidanyl-benzamide > 2-hydroxy-N-[(E)-[(3R,8R,9S)-3,5,14-trihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyleneamino]benzamide > InChI=1S/C30H38N2O7/c1-27-10-7-22-23(30(27,38)13-9-21(27)18-14-25(35)39-16-18)8-12-29(37)15-19(33)6-11-28(22,29)17-31-32-26(36)20-4-2-3-5-24(20)34/h2-5,14,17,19,21-23,33-34,37-38H,6-13,15-16H2,1H3,(H,32,36)/b31-17+/t19-,21?,22+,23-,27?,28?,29?,30?/m1/s1 > OSYNIELXSXHLKV-WZHPSQPOSA-N > 1.7 > 538.26790156 > C30H38N2O7 > 538.6 > CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=NNC(=O)C6=CC=CC=C6O)O > CC12CC[C@H]3[C@H](C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CC[C@H](C5)O)/C=N/NC(=O)C6=CC=CC=C6O)O > 149 > 538.26790156 > 0 > 39 > 3 > 5 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 3 11 40 5 12 24 3 13 41 6 14 27 3 16 29 3 15 2 3 28 3 6 34 35 8 34 36 8 35 37 8 36 38 8 37 39 8 38 39 8 $$$$