23703990 -OEChem-05132420402D 123126 0 1 0 0 0 0 0999 V2000 2.0000 6.1354 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 13.2013 -0.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -2.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 -5.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.6354 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 4.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 -1.4034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3923 0.1354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5263 1.6354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8923 -1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5833 -0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 -2.4034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 2.6354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 1.6354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2583 0.6354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 2.6354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6603 3.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7583 -2.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 -4.4034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8434 -1.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7583 -3.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3923 2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -3.9034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2583 1.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 1.1354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.6354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1603 -4.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.1354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8923 -6.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2859 -1.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9571 -2.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2733 0.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0169 -0.7045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1562 -1.9784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5304 2.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 2.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 3.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 3.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3689 -3.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9704 -2.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6518 -2.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4330 -1.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0350 -1.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9704 -4.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3689 -3.7957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4893 -3.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 2.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 3.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 3.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 3.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9174 -4.8709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9174 -5.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 0.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 2.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8503 -3.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6233 -4.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4703 -4.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0123 -5.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4682 3.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 3.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3554 -6.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2023 -6.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 -5.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 0.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -0.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 0.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 0.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 0.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 0.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 0.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 0.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 4.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 4.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 5.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 5.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 14 2 1 1 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 15 4 1 1 0 0 0 4 20 1 0 0 0 0 5 18 1 0 0 0 0 5 30 1 0 0 0 0 21 6 1 1 0 0 0 6 94 1 0 0 0 0 25 7 1 1 0 0 0 7 96 1 0 0 0 0 8 41 1 0 0 0 0 8 44 1 0 0 0 0 9 35 2 0 0 0 0 39 10 1 6 0 0 0 10118 1 0 0 0 0 11 53 1 0 0 0 0 12 53 2 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 26 1 1 0 0 0 14 17 1 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 24 1 0 0 0 0 18 59 1 6 0 0 0 19 23 1 0 0 0 0 19 32 1 1 0 0 0 19 60 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 20 61 1 1 0 0 0 21 31 1 0 0 0 0 21 62 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 1 0 0 0 22 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 27 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 25 34 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 35 1 0 0 0 0 28 36 1 1 0 0 0 28 73 1 0 0 0 0 29 31 2 0 0 0 0 29 74 1 0 0 0 0 30 40 1 6 0 0 0 30 75 1 0 0 0 0 31 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 45 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 37 1 0 0 0 0 36 47 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 39 1 0 0 0 0 37 48 1 1 0 0 0 37 87 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 38 49 1 6 0 0 0 38 88 1 0 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 42 1 0 0 0 0 41 90 1 6 0 0 0 42 43 1 0 0 0 0 42 51 1 1 0 0 0 42 95 1 0 0 0 0 43 46 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 44 46 1 0 0 0 0 44 50 1 0 0 0 0 44 99 1 1 0 0 0 45102 1 0 0 0 0 45103 1 0 0 0 0 45104 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 47105 1 0 0 0 0 47106 1 0 0 0 0 47107 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 48110 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 49113 1 0 0 0 0 50 52 1 6 0 0 0 50 53 1 0 0 0 0 50114 1 0 0 0 0 51115 1 0 0 0 0 51116 1 0 0 0 0 51117 1 0 0 0 0 52 54 1 0 0 0 0 52119 1 0 0 0 0 52120 1 0 0 0 0 54121 1 0 0 0 0 54122 1 0 0 0 0 54123 1 0 0 0 0 M CHG 2 1 1 11 -1 M END > 23703990 > 1 > 1330 > 11 > 3 > 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 > 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 > 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 > 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 > 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 > 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 > InChI=1S/C42H70O11.Na/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);/q;+1/p-1/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-;/m0./s1 > YPZYGIQXBGHDBH-UZHRAPRISA-M > 772.47375729 > C42H69NaO11 > 773.0 > 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-].[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-].[Na+] > 164 > 772.47375729 > 0 > 54 > 18 > 0 > 0 > 0 > 0 > 2 > -1 > 1 11 7 > 1 5 255 > 39 10 6 13 26 5 18 59 6 19 32 5 14 2 5 20 61 5 22 33 5 28 36 5 30 40 6 37 48 5 38 49 6 15 4 5 41 90 6 42 51 5 44 99 5 50 52 6 21 6 5 25 7 5 $$$$