5480230 -OEChem-04252407182D 92104 0 1 0 0 0 0 0999 V2000 4.7095 0.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7164 -2.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9191 2.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0551 -0.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 1.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1605 -5.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5124 3.2291 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.2118 0.2625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5432 -0.7455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 1.7382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9443 -1.9888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9343 2.2382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5047 -1.1385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7031 0.8138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9282 -1.9207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9343 3.2382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5644 -1.1849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6256 1.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0416 -0.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4155 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0242 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8652 2.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0051 -0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4953 0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4862 -1.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4047 -2.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 3.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0468 -2.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 2.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7359 0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 3.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4631 -3.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -3.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7203 4.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8819 1.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9771 4.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8597 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6681 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 5.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6020 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8112 1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 3.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6702 -4.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 2.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8576 -4.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 3.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8891 -4.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 0.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0843 -2.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3593 3.9743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3613 -0.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1949 1.2931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9753 2.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6339 -0.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9623 0.3833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2704 2.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 2.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5071 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5764 -1.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4668 4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6697 4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4985 -2.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5426 -1.7573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5899 3.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1751 2.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8966 1.0646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1619 0.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0597 -1.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2951 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0488 4.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1149 1.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3565 1.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1311 2.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6740 -0.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6957 4.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8281 1.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2156 6.1185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2864 6.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 5.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 4.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2728 -0.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1766 -0.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4308 1.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7257 1.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 4.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2602 -4.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 3.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0386 -5.3943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3293 -5.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 34 1 0 0 0 0 2 15 1 0 0 0 0 2 35 1 0 0 0 0 12 3 1 1 0 0 0 3 75 1 0 0 0 0 13 4 1 6 0 0 0 4 76 1 0 0 0 0 5 46 1 0 0 0 0 5 91 1 0 0 0 0 6 47 1 0 0 0 0 6 92 1 0 0 0 0 7 16 1 0 0 0 0 7 30 1 0 0 0 0 7 36 1 0 0 0 0 8 17 1 0 0 0 0 8 31 1 0 0 0 0 8 37 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 70 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 1 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 6 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 14 24 1 0 0 0 0 14 50 1 1 0 0 0 15 25 1 0 0 0 0 15 51 1 6 0 0 0 16 28 1 0 0 0 0 16 52 1 1 0 0 0 17 29 1 0 0 0 0 17 53 1 1 0 0 0 18 20 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 21 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 25 2 0 0 0 0 22 30 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 31 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 26 32 2 0 0 0 0 26 34 1 0 0 0 0 27 33 2 0 0 0 0 27 35 1 0 0 0 0 28 32 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 33 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 44 1 0 0 0 0 33 45 1 0 0 0 0 34 46 2 0 0 0 0 35 47 2 0 0 0 0 36 38 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 39 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 38 77 1 0 0 0 0 39 42 1 0 0 0 0 39 43 1 0 0 0 0 39 78 1 0 0 0 0 40 41 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 42 43 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 44 48 2 0 0 0 0 44 87 1 0 0 0 0 45 49 2 0 0 0 0 45 88 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 89 1 0 0 0 0 49 90 1 0 0 0 0 M END > 5480230 > 1 > 1340 > 8 > 5 > 4 > AAADcfB/OAAAAAAAAAAAAAAAGDAAAWJEgAA8eMGDAAAWLFjx0AAAHgAQCAAAD3zhngYwhpPJlgCgAyRiRASCiCAhICAImSA+zJgPJmLGsZuHeCvl0BHb+Afw8P8PoAABAAAYQADQgAaQADSgAAAAAAAAAA== > (1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol > (1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol > (1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol > (1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol > (1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol > (1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol > InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1 > APSUXPSYBJVPPS-YAUKWVCOSA-N > 3.2 > 661.31518610 > C40H43N3O6 > 661.8 > C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C9C12CCN(C(C1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1 > C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1 > 122 > 661.31518610 > 0 > 49 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 22 5 11 23 6 14 50 5 15 51 6 16 52 5 17 53 5 20 21 8 20 24 8 21 25 8 26 32 8 26 34 8 27 33 8 27 35 8 12 3 5 32 44 8 33 45 8 34 46 8 35 47 8 13 4 6 44 48 8 45 49 8 46 48 8 47 49 8 9 24 8 9 25 8 $$$$