10697702 -OEChem-04262419362D 82 86 0 1 0 0 0 0 0999 V2000 12.6335 2.6560 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5108 0.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 -3.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6979 2.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 0.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6549 2.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4272 3.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8397 1.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -0.9229 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2429 -1.4622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4668 -1.4690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3768 -0.9622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1089 -0.9622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1089 0.0378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4588 -2.5106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2589 -2.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0551 0.3425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0551 -1.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3609 -3.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2429 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3768 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6387 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5234 -3.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 -1.4329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4746 -0.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 -2.5179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1089 1.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3658 1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3443 1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 0.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3934 1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3933 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6120 2.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9822 -1.8815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 -0.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1988 -1.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4621 -3.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4770 -3.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 -2.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6676 0.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8041 -1.8338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5925 -1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9636 -3.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -3.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6414 1.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8443 1.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9482 -0.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1501 -0.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0996 -0.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0996 -0.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 -3.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9243 -3.5333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 -1.7377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0945 -0.4738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4793 0.1509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8546 -0.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5826 -3.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7289 1.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1089 1.6578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4889 1.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3528 -0.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9623 0.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7134 -3.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4562 -1.8832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -1.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3648 0.8796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9581 1.4119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 -0.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 -1.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9338 1.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0896 1.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 1.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7095 1.9805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 1.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7398 2.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2186 2.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4841 3.4689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 37 1 0 0 0 0 2 22 2 0 0 0 0 27 3 1 6 0 0 0 3 67 1 0 0 0 0 4 29 2 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 32 1 0 0 0 0 25 9 1 1 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 38 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 11 26 1 1 0 0 0 12 22 1 0 0 0 0 12 39 1 6 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 40 1 6 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 14 28 1 1 0 0 0 15 19 1 0 0 0 0 15 24 1 0 0 0 0 15 41 1 6 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 23 1 0 0 0 0 17 29 1 1 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 25 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 27 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 34 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 M END > 10697702 > 1 > 1040 > 8 > 1 > 5 > AAADcfB6OABAAAAAAAAAAAAAAAAAAYAAAAA8YMEAAAAAAGDAAAAAHgQACAAAD3zhgAaCAAMABgIIAIAQAHIAAAAAAAAAAAFIAAACEBIAgAAHQAAEAACQAAGYy/C/gAAAAAAAAADQAAaAACAgAQAACAAAAA== > [2-[(2S,3S,5S,8S,9S,10S,13S,14S,17S)-2-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] methanesulfonate > methanesulfonic acid [2-[(2S,3S,5S,8S,9S,10S,13S,14S,17S)-2-(2,2-dimethyl-4-morpholinyl)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester > [2-[(2S,3S,5S,8S,9S,10S,13S,14S,17S)-2-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate > [2-[(2S,3S,5S,8S,9S,10S,13S,14S,17S)-2-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate > [2-[(2S,3S,5S,8S,9S,10S,13S,14S,17S)-2-(2,2-dimethylmorpholin-4-yl)-10,13-dimethyl-3-oxidanyl-11-oxidanylidene-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] methanesulfonate > methanesulfonic acid [2-[(2S,3S,5S,8S,9S,10S,13S,14S,17S)-2-(2,2-dimethylmorpholino)-3-hydroxy-11-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester > InChI=1S/C28H45NO7S/c1-26(2)16-29(10-11-35-26)21-13-27(3)17(12-22(21)30)6-7-18-19-8-9-20(24(32)15-36-37(5,33)34)28(19,4)14-23(31)25(18)27/h17-22,25,30H,6-16H2,1-5H3/t17-,18-,19-,20+,21-,22-,25+,27-,28-/m0/s1 > SUCBEQDWLIEMEH-JDOQEMNXSA-N > 2.7 > 539.29167395 > C28H45NO7S > 539.7 > CC1(CN(CCO1)C2CC3(C(CCC4C3C(=O)CC5(C4CCC5C(=O)COS(=O)(=O)C)C)CC2O)C)C > C[C@]12C[C@@H]([C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)COS(=O)(=O)C)C)O)N5CCOC(C5)(C)C > 119 > 539.29167395 > 0 > 37 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 38 5 11 26 5 12 39 6 13 40 6 14 28 5 15 41 6 17 29 5 27 3 6 25 9 5 $$$$