10371606 -OEChem-04252405112D 100103 0 1 0 0 0 0 0999 V2000 16.9207 5.4343 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 -1.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 -5.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -5.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8992 5.6405 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.7145 6.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1269 4.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 0.8073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3424 3.1208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9288 -2.7614 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9288 -3.7614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -4.2614 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1968 -3.7614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -4.2682 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8750 -2.4567 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0628 -2.2614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -2.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -5.3098 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8750 -4.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -5.3029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4586 -3.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -5.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -1.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 -1.5061 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3433 -5.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -3.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -4.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -5.3171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 -1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 -0.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 -0.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0532 1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0317 2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6530 4.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2929 2.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3919 3.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6315 4.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9422 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -4.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6021 -4.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -3.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -2.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 -1.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 -2.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -2.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2811 -5.9298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -4.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -4.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 -4.9857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -3.6761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -2.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -6.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -6.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -3.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -3.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -1.7614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -1.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 -1.7614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 -0.9168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -6.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -6.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -3.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -2.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -3.2635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -3.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -4.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -5.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 -0.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 -1.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 -1.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9578 -6.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 -0.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 -0.3004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 -1.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 0.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 -0.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3500 1.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7631 0.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3564 0.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0326 2.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4394 2.0514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0523 1.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6455 2.0830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6325 4.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0392 4.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1003 2.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8822 2.6176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4855 3.3995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5845 4.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8025 3.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1992 2.8422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6521 3.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2454 4.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9216 5.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3284 5.3154 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 42 1 0 0 0 0 17 2 1 6 0 0 0 2 72 1 0 0 0 0 3 21 1 0 0 0 0 3 75 1 0 0 0 0 30 4 1 6 0 0 0 4 81 1 0 0 0 0 5 34 2 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 82 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 43 1 6 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 45 1 6 0 0 0 15 19 1 0 0 0 0 15 24 1 0 0 0 0 15 28 1 0 0 0 0 16 22 1 0 0 0 0 16 26 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 23 1 0 0 0 0 19 27 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 29 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 26 63 1 0 0 0 0 27 30 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 30 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 31 33 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 33 34 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 35 36 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 37 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 38 41 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 41 42 1 0 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0 42 99 1 0 0 0 0 42100 1 0 0 0 0 M CHG 2 6 -1 10 1 M END > 10371606 > 1 > 1030 > 7 > 4 > 11 > AAADcfB/OABAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAHgQQCAAADxTlwAaCAAPAAgIIAAEQEHBAAAAAAAAAAIEIAAAAEBIAwAAEQAAEFgCAAAGY6PSPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > 3-[dimethyl-[3-[4-[(3R,7R,9S,12S,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]propyl]ammonio]propane-1-sulfonate > 3-[dimethyl-[3-[[1-oxo-4-[(3R,7R,9S,12S,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]propyl]ammonio]-1-propanesulfonate > 3-[dimethyl-[3-[4-[(3R,7R,9S,12S,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]propyl]azaniumyl]propane-1-sulfonate > 3-[dimethyl-[3-[4-[(3R,7R,9S,12S,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]propyl]azaniumyl]propane-1-sulfonate > 3-[3-[4-[(3R,7R,9S,12S,14S)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]propyl-dimethyl-azaniumyl]propane-1-sulfonate > 3-[dimethyl-[3-[4-[(3R,7R,9S,12S,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]propyl]ammonio]propane-1-sulfonate > InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21?,22?,23-,24?,25+,26+,27-,28+,30?,31?,32?/m1/s1 > UMCMPZBLKLEWAF-JXMMBUCWSA-N > 2.9 > 614.39647337 > C32H58N2O7S > 614.9 > CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C > CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CC[C@@H]2C1([C@H](C[C@H]3C2[C@@H](CC4C3(CC[C@H](C4)O)C)O)O)C > 155 > 614.39647337 > 0 > 42 > 5 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 25 3 12 43 6 13 21 3 14 45 6 15 28 3 16 22 3 19 27 3 17 2 6 26 32 3 30 4 6 $$$$