45479870 -OEChem-05082411252D 126128 0 1 0 0 0 0 0999 V2000 0.0000 12.8078 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.2013 6.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 7.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 7.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0263 3.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 6.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3923 1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 9.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 9.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 9.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 12.3078 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 10.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 14.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8923 5.2690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3923 6.8078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5263 8.3078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8923 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 6.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8923 4.2690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5263 9.3078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7942 8.3078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2583 7.3078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7942 9.3078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6602 9.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7583 3.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8923 2.2690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8434 4.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7583 2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 7.8078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3923 8.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0263 2.7690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2583 8.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 9.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 9.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 8.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 6.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 7.8078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4641 7.8078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1602 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 8.3078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5981 8.3078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7320 7.8078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 8.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 9.8078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8923 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 9.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 6.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 10.8078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7320 6.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 11.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 11.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 12.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2858 5.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9571 4.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2733 6.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0169 5.9679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1562 4.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 9.9278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5304 8.7328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 7.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2573 8.9978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 10.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 10.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3689 3.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9704 4.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6518 4.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4330 4.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0350 5.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9704 2.1864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3689 2.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 7.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 9.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4893 3.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 8.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7023 9.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 10.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0823 10.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2382 10.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3913 10.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6182 9.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9174 1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9174 1.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 6.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 6.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 7.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8503 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6233 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4702 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 8.7328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 7.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0123 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 8.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 7.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4682 10.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3554 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2023 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 9.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 9.2002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7522 6.8448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5252 5.9978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3722 5.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5762 6.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 6.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8162 6.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 6.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 6.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 11.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 6.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 6.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 9.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 10.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 11.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 12.3078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 12.9278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 12.3078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 15.2378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7937 15.2378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 14 1 0 0 0 0 15 2 1 1 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 16 4 1 1 0 0 0 4 21 1 0 0 0 0 5 19 1 0 0 0 0 5 31 1 0 0 0 0 22 6 1 1 0 0 0 6 95 1 0 0 0 0 26 7 1 1 0 0 0 7 97 1 0 0 0 0 8 42 1 0 0 0 0 8 45 1 0 0 0 0 9 36 2 0 0 0 0 41 10 1 6 0 0 0 10119 1 0 0 0 0 11 54 1 0 0 0 0 12 54 2 0 0 0 0 13125 1 0 0 0 0 13126 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 27 1 1 0 0 0 15 18 1 0 0 0 0 15 22 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 25 1 0 0 0 0 19 60 1 6 0 0 0 20 24 1 0 0 0 0 20 33 1 1 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 21 62 1 1 0 0 0 22 32 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 1 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 28 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 0 0 0 0 26 35 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 36 1 0 0 0 0 29 37 1 1 0 0 0 29 74 1 0 0 0 0 30 32 2 0 0 0 0 30 75 1 0 0 0 0 31 40 1 6 0 0 0 31 76 1 0 0 0 0 32 77 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 35 46 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 38 1 0 0 0 0 37 48 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 41 1 0 0 0 0 38 49 1 1 0 0 0 38 88 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 39 50 1 6 0 0 0 39 89 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 41 90 1 0 0 0 0 42 43 1 0 0 0 0 42 94 1 6 0 0 0 43 44 1 0 0 0 0 43 52 1 1 0 0 0 43 96 1 0 0 0 0 44 47 1 0 0 0 0 44 98 1 0 0 0 0 44 99 1 0 0 0 0 45 47 1 0 0 0 0 45 51 1 0 0 0 0 45100 1 1 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 49109 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 50112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 51 53 1 6 0 0 0 51 54 1 0 0 0 0 51115 1 0 0 0 0 52116 1 0 0 0 0 52117 1 0 0 0 0 52118 1 0 0 0 0 53 55 1 0 0 0 0 53120 1 0 0 0 0 53121 1 0 0 0 0 55122 1 0 0 0 0 55123 1 0 0 0 0 55124 1 0 0 0 0 M CHG 2 1 1 11 -1 M END > 45479870 > 1 > 1330 > 12 > 4 > 12 > AAADcfB8PCAAAAAAAAAAAAAAAAAAASAAAAAkSJEAAAAAAAAAAAAAGgAACAAADVSggAICCAAABgCIAKDSCAAAAAAgAAAICAEAAAgRFBYAIQAiUAAF4AAPMAPI7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > sodium;(2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-5-methyl-tetrahydropyran-2-yl]butanoate;hydrate > sodium;(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-2-oxanyl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyl-2-oxanyl]butanoate;hydrate > sodium;(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoate;hydrate > sodium;(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoate;hydrate > sodium;(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl]-3,10,12-trimethyl-15-oxidanyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-4-methyl-3-oxidanyl-5-oxidanylidene-octan-2-yl]-5-methyl-oxan-2-yl]butanoate;hydrate > sodium;(2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-2-hydroxy-4-keto-1,3-dimethyl-heptyl]-5-methyl-tetrahydropyran-2-yl]butyrate;hydrate > InChI=1S/C42H70O11.Na.H2O/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33;;/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47);;1H2/q;+1;/p-1/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-;;/m0../s1 > GCVPRXBFNOZQIX-MMUBVBEESA-M > 790.48432198 > C42H71NaO12 > 791.0 > CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)[O-].O.[Na+] > CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)[O-].O.[Na+] > 165 > 790.48432198 > 0 > 55 > 18 > 0 > 0 > 0 > 0 > 3 > -1 > 1 11 7 > 1 5 255 > 41 10 6 14 27 5 19 60 6 15 2 5 20 33 5 21 62 5 23 34 5 29 37 5 31 40 6 38 49 5 39 50 6 16 4 5 42 94 6 43 52 5 45 100 5 51 53 6 22 6 5 26 7 5 $$$$