5282328 -OEChem-05231317482D 113115 0 1 0 0 0 0 0999 V2000 9.7942 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 2.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 2.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3923 2.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6603 2.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5263 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5263 0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 3.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.1900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2226 -1.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 2.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2023 3.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3554 3.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 4.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 4.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7023 2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6822 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2383 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0841 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8144 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4344 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -2.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 23 1 1 1 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 20 3 1 1 0 0 0 21 3 1 1 0 0 0 4 23 1 0 0 0 0 4 27 1 0 0 0 0 18 5 1 6 0 0 0 5 78 1 0 0 0 0 22 6 1 1 0 0 0 6 89 1 0 0 0 0 26 7 1 1 0 0 0 7 44 1 0 0 0 0 28 8 1 1 0 0 0 8 43 1 0 0 0 0 34 9 1 1 0 0 0 9 96 1 0 0 0 0 38 10 1 1 0 0 0 10101 1 0 0 0 0 11 41 2 0 0 0 0 12 45 1 0 0 0 0 12 48 1 0 0 0 0 13 44 2 0 0 0 0 14 45 2 0 0 0 0 16 15 1 1 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 19 30 1 1 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 21 24 1 0 0 0 0 21 28 1 0 0 0 0 21 58 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 22 33 1 0 0 0 0 23 25 1 0 0 0 0 23 60 1 0 0 0 0 24 29 1 0 0 0 0 24 32 1 1 0 0 0 24 59 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 63 1 0 0 0 0 27 37 1 6 0 0 0 27 64 1 0 0 0 0 28 34 1 0 0 0 0 28 65 1 0 0 0 0 29 31 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 38 1 0 0 0 0 31 40 1 1 0 0 0 31 71 1 0 0 0 0 32 41 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 39 1 0 0 0 0 34 74 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 42 1 0 0 0 0 38 88 1 0 0 0 0 39 45 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 95 1 0 0 0 0 42 47 2 0 0 0 0 42 97 1 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 44 46 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 46104 1 0 0 0 0 47 49 1 0 0 0 0 47105 1 0 0 0 0 48 50 1 0 0 0 0 48 52 1 1 0 0 0 48106 1 0 0 0 0 49 51 2 0 0 0 0 49107 1 0 0 0 0 50 51 1 0 0 0 0 50108 1 0 0 0 0 50109 1 0 0 0 0 51110 1 0 0 0 0 52111 1 0 0 0 0 52112 1 0 0 0 0 52113 1 0 0 0 0 M END > 5282328 > 1 > 1210 > 15 > 4 > 10 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgCIACjSiAAAAAAgAAAICAEIAAgbFBYAgQAnUAAH4AAfkAPK7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] acetate > acetic acid [(2S,3S,4R,6S)-6-[[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester > [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate > [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-5-methoxy-9,16-dimethyl-4,10-bis(oxidanyl)-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] ethanoate > acetic acid [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-2-keto-7-(2-ketoethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] ester > InChI=1S/C37H61NO14/c1-20-17-25(15-16-39)33(34(46-9)27(42)18-28(43)47-21(2)13-11-10-12-14-26(20)41)52-36-31(44)30(38(7)8)32(22(3)49-36)51-29-19-37(6,45)35(23(4)48-29)50-24(5)40/h10-12,14,16,20-23,25-27,29-36,41-42,44-45H,13,15,17-19H2,1-9H3/b11-10+,14-12+/t20-,21-,22-,23+,25+,26+,27-,29+,30-,31-,32-,33+,34+,35+,36+,37-/m1/s1 > LOJFCOBMHWVESZ-MXYURFFASA-N > 1.1 > 743.409206 > C37H61NO14 > 743.87854 > CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)C)(C)O)N(C)C)O)CC=O)C)O > C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)C)(C)O)N(C)C)O)CC=O)C)O > 200 > 743.409206 > 0 > 52 > 16 > 0 > 2 > 0 > 0 > 1 > 4 > 1 5 255 > 17 1 6 23 1 5 38 10 5 16 15 5 19 30 5 24 32 5 27 37 6 20 3 5 21 3 5 31 40 5 48 52 5 18 5 6 22 6 5 26 7 5 28 8 5 34 9 5 $$$$