45105765 -OEChem-05042401362D 84 89 0 1 0 0 0 0 0999 V2000 8.4494 -2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7916 -4.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 -3.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7091 1.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4697 2.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 -0.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 -1.1170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5383 -0.1308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 4.1629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4494 -1.9455 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5834 -2.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4494 -0.9455 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7174 -1.9455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8074 -2.4523 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7994 -3.4939 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3957 -0.6407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5834 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7174 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -2.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5995 -3.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7014 -4.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9793 -1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8806 -1.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4494 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8639 -4.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9327 -2.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6413 -1.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 -3.5012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7063 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1199 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6579 0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6596 1.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6012 0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 1.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 1.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3321 2.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0401 2.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1031 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 4.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3228 -2.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4535 -1.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0082 -0.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 0.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1849 0.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5053 -0.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1068 -1.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1446 -2.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9330 -2.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8175 -4.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2086 -3.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3041 -4.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1024 -4.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4401 -1.8602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4401 -1.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -1.4216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4906 -1.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0694 0.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4494 0.6745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8294 0.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 -4.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 -4.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 -1.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1194 -1.0714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 -3.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9864 -3.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2523 -4.7998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6599 1.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6585 0.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1589 0.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5206 -3.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0163 0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 1.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 1.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7511 2.7564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 3.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 5.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 4.7287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 3.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1029 4.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 5.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 5.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 68 1 0 0 0 0 2 15 1 0 0 0 0 2 69 1 0 0 0 0 28 3 1 6 0 0 0 3 73 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 8 1 0 0 0 0 7 27 2 0 0 0 0 8 33 1 0 0 0 0 8 74 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 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 42 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 43 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 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 22 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 28 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 32 1 0 0 0 0 31 72 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 75 1 0 0 0 0 36 38 2 0 0 0 0 36 76 1 0 0 0 0 37 39 2 0 0 0 0 37 77 1 0 0 0 0 38 39 1 0 0 0 0 38 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 M END > 45105765 > 1 > 1120 > 8 > 4 > 5 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAYIAAAAwYMGAAAAAAGDBAAAAHgAYCAAAD1zhmAYyyINiBgCoAjXzWACSAAAlAgAaiAEoZMgINDLAtZGGcQhliABI6YeY6fyfiAAAAAAAAADQAAYQADAAAYAADAAAAA== > 4-(dimethylamino)-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 > 4-(dimethylamino)-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 > 4-(dimethylamino)-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 > 4-(dimethylamino)-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 > 4-(dimethylamino)-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]benzamide > 4-(dimethylamino)-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/C32H43N3O6/c1-29-12-9-25-26(32(29,40)15-11-24(29)21-16-27(37)41-18-21)10-14-31(39)17-23(36)8-13-30(25,31)19-33-34-28(38)20-4-6-22(7-5-20)35(2)3/h4-7,16,19,23-26,36,39-40H,8-15,17-18H2,1-3H3,(H,34,38)/b33-19+/t23-,24?,25+,26-,29?,30?,31?,32?/m1/s1 > ASPDGMQLJZMGJM-WZUIVOHASA-N > 1.7 > 565.31518610 > C32H43N3O6 > 565.7 > CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=NNC(=O)C6=CC=C(C=C6)N(C)C)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=C(C=C6)N(C)C)O > 132 > 565.31518610 > 0 > 41 > 3 > 5 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 3 11 42 5 12 24 3 13 43 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 $$$$