72370 -OEChem-04262408172D 123127 0 1 0 0 0 0 0999 V2000 13.2013 -0.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -2.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 -5.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 -1.3084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3923 0.2304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 1.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8923 -1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5833 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 -2.3084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 2.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 1.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2583 0.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 2.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6603 3.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7583 -2.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 -4.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8434 -1.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7583 -3.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3923 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -3.8084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2583 1.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 1.2304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1603 -4.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.2304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2304 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8923 -6.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2859 -1.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9571 -1.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2733 0.1796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0169 -0.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1562 -1.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5304 2.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 2.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 3.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 3.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3689 -2.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9704 -2.2258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6518 -2.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4330 -1.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0350 -1.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9704 -4.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3689 -3.7007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4893 -3.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 2.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 3.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 3.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 3.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9174 -4.7759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9174 -5.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 0.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 2.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8503 -3.7715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6233 -4.6184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4703 -4.8453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0123 -5.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.8381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 3.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3554 -6.3505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2023 -6.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 -5.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 0.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -0.8065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 0.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 0.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 0.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 0.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 0.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 0.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 4.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 4.8381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 5.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.3505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 5.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 6.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 13 1 1 6 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 14 3 1 6 0 0 0 3 19 1 0 0 0 0 4 17 1 0 0 0 0 4 29 1 0 0 0 0 20 5 1 1 0 0 0 5 93 1 0 0 0 0 24 6 1 1 0 0 0 6 95 1 0 0 0 0 7 40 1 0 0 0 0 7 43 1 0 0 0 0 8 34 2 0 0 0 0 38 9 1 6 0 0 0 9117 1 0 0 0 0 10 52 1 0 0 0 0 10123 1 0 0 0 0 11 52 2 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 25 1 1 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 23 1 0 0 0 0 17 58 1 6 0 0 0 18 22 1 0 0 0 0 18 31 1 1 0 0 0 18 59 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 19 60 1 1 0 0 0 20 30 1 0 0 0 0 20 61 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 1 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 26 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 24 33 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 34 1 0 0 0 0 27 35 1 1 0 0 0 27 72 1 0 0 0 0 28 30 2 0 0 0 0 28 73 1 0 0 0 0 29 39 1 6 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 44 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 36 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 36 47 1 1 0 0 0 36 86 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 37 48 1 6 0 0 0 37 87 1 0 0 0 0 38 88 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 40 41 1 0 0 0 0 40 89 1 6 0 0 0 41 42 1 0 0 0 0 41 50 1 1 0 0 0 41 94 1 0 0 0 0 42 45 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 43 45 1 0 0 0 0 43 49 1 0 0 0 0 43 98 1 0 0 0 0 44101 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 46104 1 0 0 0 0 46105 1 0 0 0 0 46106 1 0 0 0 0 47107 1 0 0 0 0 47108 1 0 0 0 0 47109 1 0 0 0 0 48110 1 0 0 0 0 48111 1 0 0 0 0 48112 1 0 0 0 0 49 51 1 6 0 0 0 49 52 1 0 0 0 0 49113 1 0 0 0 0 50114 1 0 0 0 0 50115 1 0 0 0 0 50116 1 0 0 0 0 51 53 1 0 0 0 0 51118 1 0 0 0 0 51119 1 0 0 0 0 53120 1 0 0 0 0 53121 1 0 0 0 0 53122 1 0 0 0 0 M END > 72370 > 1 > 1320 > 11 > 4 > 12 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASAAAAAkSJEAAAAAAAAAAAAAGgAACAAADVSggAICCAAABgCIAKDSCAAAAAAgAAAICAEAAAgRFBYAIQAiUAAF4AAPMAPI7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R)-2-[(5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,5R,7S,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]butanoic acid > (2R)-2-[(5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5R,7S,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]butanoic acid > (2R)-2-[(5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5R,7S,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]butanoic acid > (2R)-2-[(5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5R,7S,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]butanoic acid > (2R)-2-[(5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5R,7S,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]butanoic acid > (2R)-2-[(5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,5R,7S,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]butyric acid > InChI=1S/C42H70O11/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)/t23-,24-,25+,26-,27-,28-,29+,30-,31?,32+,33+,34+,36+,37-,39-,40+,41+,42+/m0/s1 > KQXDHUJYNAXLNZ-SDCJTGBBSA-N > 5.7 > 750.49181304 > C42H70O11 > 751.0 > 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 > CC[C@H]([C@@H]1[C@H](C[C@H]([C@@]2(O1)C=C[C@H]([C@]3(O2)CC[C@@](O3)(C)[C@H]4CC[C@@]([C@@H](O4)C)(CC)O)O)C)C)C(=O)[C@@H](C)[C@H]([C@H](C)[C@H]5[C@H](CCC(O5)[C@@H](CC)C(=O)O)C)O > 161 > 750.49181304 > 0 > 53 > 17 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 6 12 25 5 17 58 6 18 31 5 19 60 5 21 32 5 27 35 5 29 39 6 14 3 6 36 47 5 37 48 6 40 89 6 41 50 5 43 45 3 49 51 6 20 5 5 24 6 5 38 9 6 $$$$