6438151 -OEChem-05241306132D 136138 0 1 0 0 0 0 0999 V2000 12.7583 -0.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7583 -0.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2583 0.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7583 2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7583 2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2583 1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2583 3.6286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.1645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3923 0.6645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7583 -0.7015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2583 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 -1.5675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2583 -1.5675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 0.1645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6603 0.6645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3923 1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7583 -2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2583 0.1645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7583 -2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7583 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2583 1.8966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 -0.8355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2583 1.8966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7583 1.0306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2583 -3.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7583 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.1645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.8355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.6645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7583 -4.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7583 2.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0683 -1.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8409 0.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1507 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9483 -2.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6383 -1.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0123 1.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.2845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7723 1.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2214 -2.7435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0683 -2.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2953 -2.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6383 0.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1383 -2.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2834 1.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2834 0.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 1.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.2845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 1.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6383 1.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9483 2.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0683 0.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8783 -3.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7583 0.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3783 1.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7583 1.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7585 0.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0683 3.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2214 -3.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4483 -4.7025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2953 -4.4756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 -2.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 -2.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -0.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -1.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -0.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 0.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 0.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8783 3.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9483 4.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 3.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 4.2015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 18 2 1 1 0 0 0 27 2 1 1 0 0 0 16 3 1 6 0 0 0 3 78 1 0 0 0 0 22 4 1 6 0 0 0 4 87 1 0 0 0 0 5 27 1 0 0 0 0 5 34 1 0 0 0 0 6 26 1 0 0 0 0 6 43 1 0 0 0 0 32 7 1 1 0 0 0 7 48 1 0 0 0 0 31 8 1 1 0 0 0 8 97 1 0 0 0 0 33 9 1 6 0 0 0 9 52 1 0 0 0 0 39 10 1 1 0 0 0 10123 1 0 0 0 0 41 11 1 6 0 0 0 11124 1 0 0 0 0 12 43 2 0 0 0 0 13 53 1 0 0 0 0 13 61 1 0 0 0 0 14 52 2 0 0 0 0 15 52 1 0 0 0 0 15129 1 0 0 0 0 15130 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 6 0 0 0 17 62 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 63 1 0 0 0 0 19 64 1 0 0 0 0 19 65 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 6 0 0 0 20 66 1 0 0 0 0 21 28 1 1 0 0 0 21 67 1 0 0 0 0 22 23 1 0 0 0 0 22 68 1 0 0 0 0 23 26 1 0 0 0 0 23 30 1 1 0 0 0 23 69 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 25 75 1 0 0 0 0 26 32 1 0 0 0 0 26 76 1 1 0 0 0 27 29 1 0 0 0 0 27 77 1 0 0 0 0 28 35 2 0 0 0 0 28 79 1 0 0 0 0 29 31 1 0 0 0 0 29 80 1 0 0 0 0 29 81 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 30 84 1 0 0 0 0 31 33 1 0 0 0 0 31 85 1 0 0 0 0 32 37 1 0 0 0 0 32 86 1 0 0 0 0 33 34 1 0 0 0 0 33 88 1 0 0 0 0 34 36 1 1 0 0 0 34 89 1 0 0 0 0 35 42 1 0 0 0 0 35 90 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 36 93 1 0 0 0 0 37 47 2 0 0 0 0 37 94 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 38 44 1 6 0 0 0 38 95 1 0 0 0 0 39 40 1 0 0 0 0 39 96 1 0 0 0 0 40 46 1 0 0 0 0 40 50 1 1 0 0 0 40 98 1 0 0 0 0 41 45 1 0 0 0 0 41 99 1 0 0 0 0 42100 1 0 0 0 0 42101 1 0 0 0 0 42102 1 0 0 0 0 43 53 1 0 0 0 0 44 55 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 45 54 1 0 0 0 0 45 56 1 6 0 0 0 45105 1 0 0 0 0 46 49 1 0 0 0 0 46106 1 0 0 0 0 46107 1 0 0 0 0 47 51 1 0 0 0 0 47108 1 0 0 0 0 48109 1 0 0 0 0 48110 1 0 0 0 0 48111 1 0 0 0 0 49 51 2 0 0 0 0 49 59 1 0 0 0 0 50112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 51115 1 0 0 0 0 53 58 2 0 0 0 0 54 57 2 0 0 0 0 54116 1 0 0 0 0 55117 1 0 0 0 0 55118 1 0 0 0 0 55119 1 0 0 0 0 56120 1 0 0 0 0 56121 1 0 0 0 0 56122 1 0 0 0 0 57 58 1 0 0 0 0 57 60 1 0 0 0 0 58125 1 0 0 0 0 59126 1 0 0 0 0 59127 1 0 0 0 0 59128 1 0 0 0 0 60131 1 0 0 0 0 60132 1 0 0 0 0 60133 1 0 0 0 0 61134 1 0 0 0 0 61135 1 0 0 0 0 61136 1 0 0 0 0 M END > 6438151 > 1 > 1580 > 14 > 6 > 12 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAQCAAADRSwgAMCCABABgCIAiDSGAIACAAgIAAICABAAEkZFAIAIQQqUAAFwAAPoYPA4PwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(1S,2R,3S)-3-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-2-hydroxy-1-methyl-butyl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]tetrahydropyran-4-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl] carbamate > carbamic acid [(2R,3S,4R,6R)-6-[[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]-4-oxanyl]oxy]-4-hydroxy-2-methyl-3-oxanyl] ester > [(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate > [(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-3,17-dimethoxy-7,9,13,15-tetramethyl-10,12-bis(oxidanyl)-18-oxidanylidene-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-oxidanyl-pentan-2-yl]-5-methyl-2-oxidanyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl] carbamate > carbamic acid [(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(1S,2R,3S)-3-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-18-keto-3,17-dimethoxy-7,9,13,15-tetramethyl-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-2-hydroxy-1-methyl-butyl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]tetrahydropyran-4-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl] ester > InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1 > DJZCTUVALDDONK-HQMSUKCRSA-N > 6 > 865.518756 > C46H75NO14 > 866.086 > CCC1C(C(CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C=CC)C)OC3CC(C(C(O3)C)OC(=O)N)O)O)O)OC)C)C)O > CC[C@H]1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)/C=C/C)C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)OC(=O)N)O)O)O)OC)/C)C)O > 226 > 865.518756 > 0 > 61 > 18 > 0 > 5 > 0 > 0 > 1 > 6 > 1 5 255 > 39 10 5 41 11 6 17 24 6 18 2 5 27 2 5 20 25 6 21 28 5 23 30 5 26 76 5 16 3 6 34 36 5 38 44 6 22 4 6 40 50 5 45 56 6 32 7 5 31 8 5 33 9 6 $$$$