5488537 -OEChem-05102405582D 84 93 0 1 0 0 0 0 0999 V2000 8.6657 1.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8136 2.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4039 -1.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3263 2.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5494 -2.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 0.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7654 -4.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5501 -0.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2805 0.0607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9333 3.5736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9348 -1.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0688 -0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8008 -0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0688 0.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8008 0.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9348 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -2.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 -1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 0.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 -3.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1507 -2.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4153 0.5622 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0682 3.0720 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5484 0.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 2.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8280 -2.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3194 -0.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6716 0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9447 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5427 -0.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6737 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4171 1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2012 3.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0789 -4.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2357 -2.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2840 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1995 4.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0646 5.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8781 -3.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3932 -1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1474 0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9315 4.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9977 -4.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -2.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2277 -4.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 -3.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -0.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6056 2.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2061 2.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8063 1.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5905 3.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9902 2.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6834 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8863 2.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9864 5.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5891 4.4617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2793 -0.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7595 1.4504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3622 2.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4623 5.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 5.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3584 -0.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7581 0.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5423 4.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1425 5.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0204 -5.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8031 -2.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9023 -4.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6999 -4.9075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -5.1099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 -3.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 -4.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8266 -4.0107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2008 1.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8173 2.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3981 -2.0757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3204 2.6732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7929 -5.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 79 1 0 0 0 0 2 30 1 0 0 0 0 2 80 1 0 0 0 0 3 31 1 0 0 0 0 3 81 1 0 0 0 0 4 32 1 0 0 0 0 4 82 1 0 0 0 0 5 33 2 0 0 0 0 6 34 2 0 0 0 0 7 43 1 0 0 0 0 7 83 1 0 0 0 0 8 44 1 0 0 0 0 8 84 1 0 0 0 0 9 23 1 0 0 0 0 9 45 1 0 0 0 0 9 61 1 0 0 0 0 10 24 1 0 0 0 0 10 46 1 0 0 0 0 10 62 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 18 2 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 21 1 0 0 0 0 17 27 1 0 0 0 0 18 22 1 0 0 0 0 18 28 1 0 0 0 0 19 31 2 0 0 0 0 19 33 1 0 0 0 0 20 32 2 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 23 51 1 0 0 0 0 24 26 1 0 0 0 0 24 36 1 0 0 0 0 24 52 1 0 0 0 0 25 29 2 0 0 0 0 25 31 1 0 0 0 0 26 30 2 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 27 43 2 0 0 0 0 28 34 1 0 0 0 0 28 44 2 0 0 0 0 35 39 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 36 40 1 0 0 0 0 36 55 1 0 0 0 0 36 56 1 0 0 0 0 37 47 2 0 0 0 0 37 49 1 0 0 0 0 38 48 2 0 0 0 0 38 50 1 0 0 0 0 39 41 1 0 0 0 0 39 57 1 0 0 0 0 39 58 1 0 0 0 0 40 42 1 0 0 0 0 40 59 1 0 0 0 0 40 60 1 0 0 0 0 41 45 1 0 0 0 0 41 63 1 0 0 0 0 41 64 1 0 0 0 0 42 46 1 0 0 0 0 42 65 1 0 0 0 0 42 66 1 0 0 0 0 43 47 1 0 0 0 0 44 48 1 0 0 0 0 45 67 1 0 0 0 0 45 68 1 0 0 0 0 46 69 1 0 0 0 0 46 70 1 0 0 0 0 47 71 1 0 0 0 0 48 72 1 0 0 0 0 49 73 1 0 0 0 0 49 74 1 0 0 0 0 49 75 1 0 0 0 0 50 76 1 0 0 0 0 50 77 1 0 0 0 0 50 78 1 0 0 0 0 M END > 5488537 > 1 > 1290 > 10 > 8 > 2 > AAADcfB/PAAAAAAAAAAAAAAAAAAAAAAAAAA8eMGDAAAAAADBVAAAHgAQCAAADCzBmAQyBsLAAgCIAqBSAACCAAAkIAAAiIEODMgIJzaClROEcUhn8BWImQfY7fTe4AADCAAYAADAAAYQADAAAAAAAAAAAA== > 5,7,11,18,22,24-hexahydroxy-13,16-dimethyl-6,23-bis(2-piperidyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione > 5,7,11,18,22,24-hexahydroxy-13,16-dimethyl-6,23-bis(2-piperidinyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione > 5,7,11,18,22,24-hexahydroxy-13,16-dimethyl-6,23-di(piperidin-2-yl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione > 5,7,11,18,22,24-hexahydroxy-13,16-dimethyl-6,23-di(piperidin-2-yl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione > 13,16-dimethyl-5,7,11,18,22,24-hexakis(oxidanyl)-6,23-di(piperidin-2-yl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione > 5,7,11,18,22,24-hexahydroxy-13,16-dimethyl-6,23-bis(2-piperidyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-quinone > InChI=1S/C40H34N2O8/c1-13-11-17(43)23-25-19(13)20-14(2)12-18(44)24-26(20)28-27(25)29-31(35(45)21(15-7-3-5-9-41-15)37(47)33(29)39(23)49)32-30(28)34(40(24)50)38(48)22(36(32)46)16-8-4-6-10-42-16/h11-12,15-16,41-48H,3-10H2,1-2H3 > ROFJUMITFMRBRF-UHFFFAOYSA-N > 7.4 > 670.23151605 > C40H34N2O8 > 670.7 > CC1=CC(=C2C3=C4C5=C6C(=C13)C(=CC(=C6C(=O)C7=C(C(=C(C(=C57)C8=C4C(=C(C(=C8O)C9CCCCN9)O)C2=O)O)C1CCCCN1)O)O)C)O > CC1=CC(=C2C3=C4C5=C6C(=C13)C(=CC(=C6C(=O)C7=C(C(=C(C(=C57)C8=C4C(=C(C(=C8O)C9CCCCN9)O)C2=O)O)C1CCCCN1)O)O)C)O > 180 > 670.23151605 > 0 > 50 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 13 8 11 17 8 12 14 8 12 18 8 13 15 8 13 19 8 14 16 8 14 20 8 15 16 8 15 29 8 16 30 8 17 21 8 17 27 8 18 22 8 18 28 8 19 31 8 19 33 8 20 32 8 20 34 8 21 22 8 21 37 8 22 38 8 23 25 3 24 26 3 25 29 8 25 31 8 26 30 8 26 32 8 27 33 8 27 43 8 28 34 8 28 44 8 37 47 8 38 48 8 43 47 8 44 48 8 $$$$