83972 -OEChem-05072412442D 118121 0 1 0 0 0 0 0999 V2000 6.3301 -1.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 0.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 4.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 3.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -1.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 4.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.0296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.0296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.5296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 2.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 1.5296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -1.9704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 -0.4704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1712 0.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6603 0.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -2.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -1.9704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 2.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 -1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 4.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2976 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2942 -1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 0.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 2.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -1.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 0.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6096 0.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6096 1.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 1.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 0.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -0.5531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.5531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 4.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6437 1.4339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -1.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 2.5665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 2.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 1.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.5665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7573 -1.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9842 -1.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8312 -1.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 0.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 2.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -2.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 0.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5098 0.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8802 1.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -4.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -5.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -5.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -4.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2942 -1.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9142 -1.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2942 -0.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 26 1 1 1 0 0 0 19 2 1 1 0 0 0 29 2 1 6 0 0 0 18 3 1 1 0 0 0 3 84 1 0 0 0 0 4 26 1 0 0 0 0 4 39 1 0 0 0 0 5 29 1 0 0 0 0 5 38 1 0 0 0 0 6 27 1 0 0 0 0 6 40 1 0 0 0 0 7 21 1 0 0 0 0 7 47 1 0 0 0 0 8 24 1 0 0 0 0 8 47 1 0 0 0 0 30 9 1 6 0 0 0 9 53 1 0 0 0 0 32 10 1 6 0 0 0 10105 1 0 0 0 0 36 11 1 6 0 0 0 11109 1 0 0 0 0 12 33 2 0 0 0 0 13 40 2 0 0 0 0 14 47 2 0 0 0 0 35 15 1 1 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 6 0 0 0 17 55 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 23 1 0 0 0 0 19 56 1 0 0 0 0 20 22 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 21 41 1 1 0 0 0 22 33 1 0 0 0 0 22 42 1 1 0 0 0 22 59 1 0 0 0 0 23 40 1 0 0 0 0 23 43 1 1 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 61 1 6 0 0 0 25 33 1 0 0 0 0 25 45 1 6 0 0 0 25 62 1 0 0 0 0 26 32 1 0 0 0 0 26 63 1 0 0 0 0 27 44 1 6 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 34 1 0 0 0 0 29 68 1 0 0 0 0 30 34 1 0 0 0 0 30 36 1 0 0 0 0 30 46 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 35 1 0 0 0 0 32 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 37 1 0 0 0 0 35 75 1 0 0 0 0 36 38 1 0 0 0 0 36 76 1 0 0 0 0 37 39 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 48 1 1 0 0 0 38 79 1 0 0 0 0 39 49 1 1 0 0 0 39 80 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 43 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 44 50 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 48 99 1 0 0 0 0 48100 1 0 0 0 0 48101 1 0 0 0 0 49102 1 0 0 0 0 49103 1 0 0 0 0 49104 1 0 0 0 0 50106 1 0 0 0 0 50107 1 0 0 0 0 50108 1 0 0 0 0 51110 1 0 0 0 0 51111 1 0 0 0 0 51112 1 0 0 0 0 52113 1 0 0 0 0 52114 1 0 0 0 0 52115 1 0 0 0 0 53116 1 0 0 0 0 53117 1 0 0 0 0 53118 1 0 0 0 0 M END > 83972 > 1 > 1300 > 15 > 3 > 7 > AAADcfB+PAAAAAAAAAAAAAAAAAAAASAAAAAkSAAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgAIAICQCAAAAAAAAAAAAAEIAAATEBYAgAAmQAAHIAAXAAHK7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione > (1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-9-hydroxy-6-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione > (1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione > (1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione > (1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-9-oxidanyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione > (1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione > InChI=1S/C38H65NO14/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30+,31?,32-,34+,36-,37-,38-/m1/s1 > NKLGIWNNVDPGCA-AOTCXZJYSA-N > 4.1 > 759.44050575 > C38H65NO14 > 759.9 > CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C > CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@](C([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C > 189 > 759.44050575 > 0 > 53 > 17 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 1 3 26 1 5 32 10 6 36 11 6 35 15 5 17 28 6 19 2 5 29 2 6 21 41 5 22 42 5 23 43 5 24 61 6 25 45 6 27 44 6 18 3 5 38 48 5 39 49 5 30 9 6 $$$$