44415027 -OEChem-04252412362D 85 86 0 1 0 0 0 0 0999 V2000 4.7595 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5494 -1.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5463 2.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7946 3.3589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9005 -1.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1414 0.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2091 3.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1414 -1.6990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 0.3010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 3.4847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6256 -2.6522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4916 -3.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3576 -2.6522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6256 -1.6522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9184 -0.9451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4093 -2.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8762 -1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1773 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 -1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9525 -1.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 1.7279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2754 -1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5433 -1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 -4.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1773 2.4350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5463 0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5433 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2754 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1773 2.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0074 -1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 3.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 3.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4034 4.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5433 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5433 2.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8734 -1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7394 -1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6256 -3.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0931 -3.6272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8901 -3.6272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9240 -2.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1411 -1.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 -1.5440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3910 -3.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -2.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4063 -2.1188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1978 -1.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3462 -1.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3377 0.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 -0.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 -1.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -1.8028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6304 -0.6549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9546 1.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1395 -4.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 -4.7722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3795 -4.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5692 2.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 0.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9735 0.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 -0.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1414 -2.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 0.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4873 1.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1404 0.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4059 -0.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6089 -0.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5168 3.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8952 3.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7808 4.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9115 4.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 3.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8734 -2.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0993 0.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9463 0.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7193 1.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 4.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2764 -1.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7394 -0.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 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 1 0 0 0 3 36 1 0 0 0 0 27 4 1 6 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 > 44415027 > 1 > 1210 > 9 > 4 > 7 > AAADcfB7PAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAADRzhgAYCCALABgCIAqVSWACAAAAgAgAICIGIAEkJFBIAoSAMUAAE1ACLocOYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(4Z,6E,8R,9R,10E,12S,13R,14S,16S)-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 [(4Z,6E,8R,9R,10E,12S,13R,14S,16S)-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 > [(4Z,6E,8R,9R,10E,12S,13R,14S,16S)-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 > [(4Z,6E,8R,9R,10E,12S,13R,14S,16S)-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 > [(4Z,6E,8R,9R,10E,12S,13R,14S,16S)-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 [(4Z,6E,8R,9R,10E,12S,13R,14S,16S)-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+/m0/s1 > AYUNIORJHRXIBJ-WMWXSWHOSA-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 6 14 18 5 16 21 5 15 2 5 23 3 5 27 4 6 $$$$