45105751 -OEChem-04252402192D 78 83 0 1 0 0 0 0 0999 V2000 9.6593 -2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0015 -3.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2662 -3.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9190 2.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6795 3.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0401 0.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0777 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1031 0.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9142 -0.3055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7481 0.6807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 1.7284 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.6593 -1.1340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7933 -1.6340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6593 -0.1340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9272 -1.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0172 -1.6408 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0092 -2.6824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6055 0.1707 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7933 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9272 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6055 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8093 -2.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 -3.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1891 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0904 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6593 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0738 -3.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -1.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8512 -0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1342 -2.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9162 1.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3298 1.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8678 1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8695 2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8111 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 2.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 2.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 2.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 3.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 3.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3129 3.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5326 -2.0533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6634 -0.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2180 0.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1918 0.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3947 0.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7152 0.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -0.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3545 -2.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1429 -1.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0274 -3.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4185 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 -3.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3123 -3.6761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6500 -1.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6500 -0.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4986 -0.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7005 -0.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2793 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6593 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0393 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6765 -3.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4748 -3.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -1.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5309 -1.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -0.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -2.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 -2.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4622 -3.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8698 2.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8683 1.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3687 1.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -2.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2261 1.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9970 2.4364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 3.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 4.0339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 4.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 68 1 0 0 0 0 2 17 1 0 0 0 0 2 69 1 0 0 0 0 30 3 1 6 0 0 0 3 73 1 0 0 0 0 4 32 1 0 0 0 0 4 34 1 0 0 0 0 5 34 2 0 0 0 0 6 35 2 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 29 2 0 0 0 0 10 35 1 0 0 0 0 10 74 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 13 42 1 1 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 43 1 6 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 29 1 0 0 0 0 17 23 1 0 0 0 0 17 27 1 0 0 0 0 18 24 1 0 0 0 0 18 31 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 30 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 30 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 34 1 0 0 0 0 33 72 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 37 39 2 0 0 0 0 38 40 1 0 0 0 0 38 75 1 0 0 0 0 39 41 1 0 0 0 0 39 76 1 0 0 0 0 40 41 2 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 M CHG 2 7 -1 11 1 M END > 45105751 > 1 > 1170 > 9 > 4 > 4 > AAADcfB7PAAAAAAAAAAAAAAAAAAAAYIAAAAwYMGAAAAAAGDBAAAAHgAcCAAAD1zhmAYyyIByRgCpAjXzWwCSAAAkAgA6iAEgZMoINDqA9ZGCcYBliAAI6ceY6PyPgAAAAAACAADAAAYQADQAAYAADAAAAA== > 2-nitro-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-nitro-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-nitro-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-nitro-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-nitro-benzamide > 2-nitro-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/C30H37N3O8/c1-27-10-7-22-23(30(27,38)13-9-21(27)18-14-25(35)41-16-18)8-12-29(37)15-19(34)6-11-28(22,29)17-31-32-26(36)20-4-2-3-5-24(20)33(39)40/h2-5,14,17,19,21-23,34,37-38H,6-13,15-16H2,1H3,(H,32,36)/b31-17+/t19-,21?,22+,23-,27?,28?,29?,30?/m1/s1 > CPYGLZSHOFZGRI-WZHPSQPOSA-N > 1.4 > 567.25806515 > C30H37N3O8 > 567.6 > CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=NNC(=O)C6=CC=CC=C6[N+](=O)[O-])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=C6[N+](=O)[O-])O > 174 > 567.25806515 > 0 > 41 > 3 > 5 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 3 13 42 5 14 26 3 15 43 6 16 29 3 18 31 3 17 2 3 30 3 6 36 37 8 36 38 8 37 39 8 38 40 8 39 41 8 40 41 8 $$$$