53300298 -OEChem-05032422312D 120122 0 1 0 0 0 0 0999 V2000 11.1972 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9292 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3187 -5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7172 -6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4853 -6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1053 -5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6832 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4432 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7112 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 27 1 0 0 0 0 19 2 1 6 0 0 0 2 84 1 0 0 0 0 32 3 1 1 0 0 0 33 3 1 1 0 0 0 4 33 1 0 0 0 0 4 38 1 0 0 0 0 5 31 1 0 0 0 0 5 41 1 0 0 0 0 31 6 1 1 0 0 0 6108 1 0 0 0 0 34 7 1 1 0 0 0 7 53 1 0 0 0 0 8 27 2 0 0 0 0 9 29 2 0 0 0 0 37 10 1 6 0 0 0 10112 1 0 0 0 0 11 53 2 0 0 0 0 12 53 1 0 0 0 0 12119 1 0 0 0 0 12120 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 1 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 55 1 0 0 0 0 15 18 1 0 0 0 0 15 22 1 1 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 6 0 0 0 17 59 1 0 0 0 0 18 21 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 23 1 0 0 0 0 19 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 1 0 0 0 21 66 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 23 28 1 1 0 0 0 23 29 1 0 0 0 0 23 70 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 25 35 2 3 0 0 0 25 74 1 0 0 0 0 26 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 27 30 1 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 42 1 0 0 0 0 30 31 1 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 31 40 1 0 0 0 0 32 35 1 0 0 0 0 32 39 1 0 0 0 0 32 83 1 0 0 0 0 33 36 1 0 0 0 0 33 85 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 86 1 0 0 0 0 35 89 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 38 1 0 0 0 0 37 90 1 0 0 0 0 38 48 1 1 0 0 0 38 91 1 0 0 0 0 39 43 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 45 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 41 44 1 0 0 0 0 41 46 1 0 0 0 0 41 96 1 0 0 0 0 42 50 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 43 47 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 44 45 2 0 0 0 0 44 51 1 0 0 0 0 45101 1 0 0 0 0 46 49 2 3 0 0 0 46 52 1 0 0 0 0 47 49 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 49107 1 0 0 0 0 50109 1 0 0 0 0 50110 1 0 0 0 0 50111 1 0 0 0 0 51113 1 0 0 0 0 51114 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 M END > 53300298 > 1 > 1310 > 11 > 4 > 11 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAAkQAAAAAAAAAAAAAAAHgAQCAAADRSwgAMCCABABgCIAqDSGAAAAAAgAAAICAEAAAkRFBYAIQAqUAAF4AAPIAPI6OyOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,6R,8R,11S)-1-hydroxy-5-[(1R,3R,4S,5S)-4-hydroxy-1,3,5-trimethyl-6-oxo-octyl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-2-methyl-tetrahydropyran-4-yl] carbamate > carbamic acid [(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,6R,8R,11S)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]heneicosa-9,15,18-trien-11-yl]oxy]-2-methyl-4-oxanyl] ester > [(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,6R,8R,11S)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-2-methyloxan-4-yl] carbamate > [(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,6R,8R,11S)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-2-methyloxan-4-yl] carbamate > [(2R,3R,4R,6R)-6-[[(1R,6R,8R,11S)-5-[(2R,4R,5S,6S)-4,6-dimethyl-5-oxidanyl-7-oxidanylidene-nonan-2-yl]-6,8,16,18-tetramethyl-1-oxidanyl-3-oxidanylidene-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl] carbamate > carbamic acid [(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,6R,8R,11S)-1-hydroxy-5-[(1R,3R,4S,5S)-4-hydroxy-6-keto-1,3,5-trimethyl-octyl]-3-keto-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]heneicosa-9,15,18-trien-11-yl]oxy]-2-methyl-tetrahydropyran-4-yl] ester > InChI=1S/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)/t23-,26+,27+,28+,29+,30+,31-,33+,35-,36-,37+,38?,39?,41+/m0/s1 > HHQKNFDAEDTRJK-GXWPZMNXSA-N > 5 > 749.47141195 > C41H67NO11 > 750.0 > CCC(=O)C(C)C(C(C)CC(C)C1C(CC(C=CC(CCCC=C(C2C(=CCC(O2)(CC(=O)O1)O)C)C)OC3CC(C(C(O3)C)O)OC(=O)N)C)C)O > CCC(=O)[C@@H](C)[C@H]([C@H](C)C[C@@H](C)C1[C@@H](C[C@H](C=C[C@H](CCCC=C(C2C(=CC[C@@](O2)(CC(=O)O1)O)C)C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)O)OC(=O)N)C)C)O > 184 > 749.47141195 > 0 > 53 > 12 > 2 > 0 > 2 > 0 > 1 > -1 > 1 5 255 > 14 1 3 37 10 6 13 20 5 15 22 5 17 24 6 19 2 6 21 26 5 23 28 5 25 35 1 32 3 5 33 3 5 38 48 5 41 46 3 46 49 1 31 6 5 34 7 5 $$$$