59253421 -OEChem-04162403072D 121123 0 1 0 0 0 0 0999 V2000 5.4641 -0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 2.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6972 -1.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7193 1.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 2.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9446 3.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3317 1.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9564 1.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 0.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8213 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0656 3.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0034 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4489 -0.1770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0917 0.5890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7909 -1.1167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7497 1.5287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1482 -1.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7649 1.7024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1634 -1.7091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.5034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0765 0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6972 -0.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3773 2.1211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.5034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0049 2.7135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -2.0034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0201 2.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3469 1.7738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8365 -0.5957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1373 1.1100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 0.3439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8213 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7041 1.0078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.5034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7952 2.0497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4229 2.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1069 0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5206 -2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1785 3.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0436 0.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 2.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7844 -2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4684 3.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1182 4.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0504 -0.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4902 1.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5376 2.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9362 -2.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6852 -2.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1823 1.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 -2.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9688 -0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6871 0.3077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1842 1.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9593 -1.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2592 -0.4321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 -0.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9787 1.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2321 3.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4831 3.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7454 2.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 -0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -0.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3056 0.5328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 2.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 0.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3190 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 0.9747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 -2.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -2.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 -2.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7891 3.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2862 4.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5679 3.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 -1.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2311 -2.2590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0258 -1.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7816 0.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6055 0.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3056 1.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 2.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 1.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8384 -3.1532 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 8.4020 -2.4815 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 7.1668 -2.5896 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 9.4635 -0.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2582 -0.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6287 0.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5437 1.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 2.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 1.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.8134 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 3.1760 -4.0403 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.5560 -2.9664 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 4.2881 -4.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 3.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 3.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 2.9509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7288 3.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2259 4.6509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5076 4.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 22 1 1 1 0 0 0 18 2 1 1 0 0 0 25 2 1 6 0 0 0 17 3 1 6 0 0 0 3 46 1 0 0 0 0 4 22 1 0 0 0 0 4 37 1 0 0 0 0 5 25 1 0 0 0 0 5 36 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 27 7 1 6 0 0 0 7 52 1 0 0 0 0 26 8 1 6 0 0 0 8106 1 0 0 0 0 30 9 1 6 0 0 0 9107 1 0 0 0 0 32 10 1 1 0 0 0 10108 1 0 0 0 0 34 11 1 1 0 0 0 11109 1 0 0 0 0 12 35 2 0 0 0 0 13 39 2 0 0 0 0 28 14 1 1 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 6 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 19 21 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 1 0 0 0 20 58 1 0 0 0 0 21 35 1 0 0 0 0 21 41 1 1 0 0 0 21 59 1 0 0 0 0 22 26 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 29 1 0 0 0 0 25 67 1 0 0 0 0 26 28 1 0 0 0 0 26 68 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 42 1 0 0 0 0 28 33 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 36 1 0 0 0 0 30 72 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 43 1 6 0 0 0 31 73 1 0 0 0 0 32 34 1 0 0 0 0 32 38 1 0 0 0 0 32 44 1 0 0 0 0 33 37 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 36 47 1 1 0 0 0 36 77 1 0 0 0 0 37 48 1 1 0 0 0 37 78 1 0 0 0 0 38 45 1 1 0 0 0 38 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 51 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 50115 1 0 0 0 0 51116 1 0 0 0 0 51117 1 0 0 0 0 51118 1 0 0 0 0 52119 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 M ISO 6 97 2 98 2 99 2 110 2 111 2 112 2 M END > 59253421 > 1 > 1190 > 14 > 4 > 8 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgAIAICQCAAAAAAAAAAAAAEIAAATEBYAgAAmQAAHIAAXAAHK7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(trideuteriomethyl)amino]tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-(trideuteriomethoxy)-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-6-[[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(trideuteriomethyl)amino]-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-7-(trideuteriomethoxy)-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(trideuteriomethyl)amino]oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-(trideuteriomethoxy)-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(trideuteriomethyl)amino]oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-(trideuteriomethoxy)-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4-[(2S,4S,5R,6R)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6-[(2S,3R,4S,6R)-6-methyl-4-[methyl(trideuteriomethyl)amino]-3-oxidanyl-oxan-2-yl]oxy-12,13-bis(oxidanyl)-7-(trideuteriomethoxy)-1-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(trideuteriomethyl)amino]tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-(trideuteriomethoxy)-oxacyclotetradecane-2,10-quinone > InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24-,25+,26-,27-,29-,30+,31-,32-,33-,35+,36+,37-,38-/m1/s1/i11D3,14D3 > AGOYDEPGAOXOCK-JFTPJABSSA-N > 3.2 > 753.51455173 > C38H69NO13 > 754.0 > CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O > [2H]C([2H])([2H])N(C)[C@H]1C[C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)OC([2H])([2H])[2H])C)C)O)(C)O)CC)C)O[C@@H]3C[C@]([C@@H]([C@H](O3)C)O)(C)OC)C)C > 183 > 753.51455173 > 0 > 52 > 18 > 0 > 0 > 0 > 6 > 1 > -1 > 1 5 255 > 15 1 6 22 1 5 32 10 5 34 11 5 28 14 5 16 23 6 18 2 5 25 2 6 20 40 5 21 41 5 17 3 6 31 43 6 36 47 5 37 48 5 38 45 5 27 7 6 26 8 6 30 9 6 $$$$