71313088 -OEChem-04192420152D 85 86 0 1 0 0 0 0 0999 V2000 8.0833 -3.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0177 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.1011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.8989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3421 -2.1742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3080 -1.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1741 -2.4154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6350 -1.4671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6350 -1.4671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 -2.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9846 -3.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -2.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1174 -3.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4279 -1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7805 -2.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7464 -1.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9980 -1.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6354 -2.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2431 -1.3461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 -2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3196 -2.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8141 -2.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3759 -3.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8672 -4.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5934 -3.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 -0.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -2.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 -0.4623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9569 -2.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5185 -3.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2778 -3.9978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 -0.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 -1.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 -1.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 -0.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 -0.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 3.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 3.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -0.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 26 1 0 0 0 0 15 2 1 1 0 0 0 2 58 1 0 0 0 0 23 3 1 6 0 0 0 3 36 1 0 0 0 0 27 4 1 1 0 0 0 4 37 1 0 0 0 0 5 25 2 0 0 0 0 6 30 2 0 0 0 0 7 35 2 0 0 0 0 8 36 2 0 0 0 0 9 24 1 0 0 0 0 9 33 1 0 0 0 0 9 67 1 0 0 0 0 10 29 1 0 0 0 0 10 35 1 0 0 0 0 10 70 1 0 0 0 0 11 36 1 0 0 0 0 11 82 1 0 0 0 0 11 83 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 1 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 1 0 0 0 16 48 1 0 0 0 0 17 20 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 22 2 0 0 0 0 19 54 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 27 1 0 0 0 0 23 59 1 0 0 0 0 24 30 1 0 0 0 0 25 29 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 32 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 31 68 1 0 0 0 0 32 34 2 0 0 0 0 32 69 1 0 0 0 0 33 40 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 39 1 0 0 0 0 34 73 1 0 0 0 0 35 38 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 39 2 0 0 0 0 38 41 1 0 0 0 0 39 77 1 0 0 0 0 40 42 2 0 0 0 0 40 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 M END > 71313088 > 1 > 1210 > 9 > 4 > 7 > AAADcfB7PAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAADRzhgAYCCALABgCIAqVSWACAAAAgAgAICIGIAEkJFBIAoSAMUAAE1ACLocOYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(4E,6Z,8R,9S,10E,12S,13R,14R,16R)-19-(allylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate > carbamic acid [(4E,6Z,8R,9S,10E,12S,13R,14R,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] ester > [(4E,6Z,8R,9S,10E,12S,13R,14R,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate > [(4E,6Z,8R,9S,10E,12S,13R,14R,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate > [(4E,6Z,8R,9S,10E,12S,13R,14R,16R)-8,14-dimethoxy-4,10,12,16-tetramethyl-13-oxidanyl-3,20,22-tris(oxidanylidene)-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate > carbamic acid [(4E,6Z,8R,9S,10E,12S,13R,14R,16R)-19-(allylamino)-13-hydroxy-3,20,22-triketo-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] ester > InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24-,25-,27-,29+/m1/s1 > AYUNIORJHRXIBJ-WHCYGHKTSA-N > 2.6 > 585.30501534 > C31H43N3O8 > 585.7 > CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC > C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC > 166 > 585.30501534 > 0 > 42 > 6 > 0 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 5 14 18 5 16 21 5 15 2 5 23 3 6 27 4 5 $$$$