71230510 -OEChem-05082409212D 88 90 0 1 0 0 0 0 0999 V2000 8.0833 -2.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0177 -0.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.8769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1613 -1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6613 -0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1741 -2.1912 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0632 -0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3080 -1.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3421 -1.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 -1.2429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6350 -1.2429 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9846 -3.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -2.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7904 -3.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4279 -1.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2229 -1.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6863 -2.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6362 -2.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2439 -1.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7690 -0.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6354 -2.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7464 -1.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9980 -1.1543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3196 -2.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8141 -1.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7805 -2.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2431 -1.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 -1.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3759 -3.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8672 -3.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5934 -3.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 0.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -2.6459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -2.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 -0.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3520 -4.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2288 -4.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2288 -3.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 -0.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 -1.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 -1.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 -0.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 -0.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 3.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 3.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 6 0 0 0 1 33 1 0 0 0 0 22 2 1 1 0 0 0 2 68 1 0 0 0 0 3 25 2 0 0 0 0 4 26 2 0 0 0 0 32 5 1 6 0 0 0 5 41 1 0 0 0 0 34 6 1 6 0 0 0 6 42 1 0 0 0 0 7 36 2 0 0 0 0 8 41 2 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 51 1 0 0 0 0 10 28 1 0 0 0 0 10 36 1 0 0 0 0 10 73 1 0 0 0 0 11 41 1 0 0 0 0 11 87 1 0 0 0 0 11 88 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 24 1 0 0 0 0 16 52 1 0 0 0 0 17 21 2 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 1 0 0 0 0 20 57 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 23 27 1 0 0 0 0 23 30 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 27 31 2 0 0 0 0 27 63 1 0 0 0 0 28 29 2 0 0 0 0 29 67 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 32 34 1 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 37 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 36 38 1 0 0 0 0 37 39 2 0 0 0 0 37 78 1 0 0 0 0 38 40 2 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 79 1 0 0 0 0 40 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 43 84 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 M END > 71230510 > 1 > 1240 > 9 > 4 > 7 > AAADcfB/PAAAAAAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAADRzhgAYCCALABgCIAqVSWACAAAAgAgAICIGIAEkJFBIAoSAMUAAE1ACLocOYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(4E,6Z,8S,9S,10E,13R,14S)-19-(cyclopropylmethylamino)-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,8S,9S,10E,13R,14S)-19-(cyclopropylmethylamino)-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] ester > [(4E,6Z,8S,9S,10E,13R,14S)-19-(cyclopropylmethylamino)-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 > [(4E,6Z,8S,9S,10E,13R,14S)-19-(cyclopropylmethylamino)-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 > [(4E,6Z,8S,9S,10E,13R,14S)-19-(cyclopropylmethylamino)-8,14-dimethoxy-4,10,12,16-tetramethyl-13-oxidanyl-3,20,22-tris(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate > carbamic acid [(4E,6Z,8S,9S,10E,13R,14S)-19-(cyclopropylmethylamino)-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/C32H45N3O8/c1-17-12-22-27(34-16-21-10-11-21)24(36)15-23(29(22)38)35-31(39)18(2)8-7-9-25(41-5)30(43-32(33)40)20(4)14-19(3)28(37)26(13-17)42-6/h7-9,14-15,17,19,21,25-26,28,30,34,37H,10-13,16H2,1-6H3,(H2,33,40)(H,35,39)/b9-7-,18-8+,20-14+/t17?,19?,25-,26-,28+,30-/m0/s1 > QHYNONUOKKSQBB-PWFQCDOOSA-N > 2.7 > 599.32066540 > C32H45N3O8 > 599.7 > CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC3CC3)C)OC)OC(=O)N)C)C)O)OC > CC1C[C@@H]([C@@H](C(/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC3CC3)/C)OC)OC(=O)N)\C)C)O)OC > 166 > 599.32066540 > 0 > 43 > 4 > 2 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 20 1 6 16 24 3 22 2 5 23 30 3 32 5 6 34 6 6 $$$$