Mrv0541 05061306212D 104107 0 0 0 0 999 V2000 5.5477 -2.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2145 -1.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 -1.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 -1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8131 -0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2408 -0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7538 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 -0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0873 -0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 0.4683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6003 -0.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7801 -0.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1852 0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 -1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 -1.4408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -1.2633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 -2.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -1.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8342 -1.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 -2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1677 -3.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1395 -2.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1675 -1.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3212 -2.5065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -2.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 -2.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8081 -3.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 -3.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8826 -4.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9879 -3.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6547 -4.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4486 -2.9950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2951 -3.8384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9355 -3.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7818 -2.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -2.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9353 -1.3968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 -2.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4483 -0.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9312 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7166 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7191 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5004 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9874 -0.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5045 -1.3920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8337 0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6539 0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1409 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8076 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6281 -0.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1412 -0.1537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2949 -1.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3209 -0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4744 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 0.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6542 0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2656 1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4619 1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0138 0.3348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 1.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 1.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6383 2.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6803 1.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 2.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7066 0.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 0.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2196 1.5780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6006 1.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5529 2.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3441 2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 2.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9077 2.0665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 2.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3947 2.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 3.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 4.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2412 3.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2149 2.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5482 1.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 3.3097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5221 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3686 4.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8553 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7016 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6756 2.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5219 0.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 0.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9434 1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5479 -0.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7141 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 1.8003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6527 1.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6106 1.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4331 0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -1.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4206 -0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2669 -2.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 94 1 0 0 0 0 11 95 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17102 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 34 1 0 0 0 0 30 35 2 0 0 0 0 32 33 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 39 41 1 0 0 0 0 39 44 1 0 0 0 0 41 42 1 0 0 0 0 41 52 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 97 1 0 0 0 0 44 47 1 0 0 0 0 45 46 2 0 0 0 0 45 48 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 57 61 2 0 0 0 0 57 62 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 68 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 66 67 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 71 73 1 0 0 0 0 71 76 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 77 79 1 0 0 0 0 77 80 1 0 0 0 0 79 81 1 0 0 0 0 79 84 1 0 0 0 0 81 82 1 0 0 0 0 81 83 1 0 0 0 0 84 85 2 0 0 0 0 84 86 1 0 0 0 0 86 87 1 0 0 0 0 86 88 1 0 0 0 0 87 89 1 0 0 0 0 89 91 2 0 0 0 0 89 98 1 0 0 0 0 90 92 1 0 0 0 0 90 95 1 0 0 0 0 90 98 1 0 0 0 0 92 93 1 0 0 0 0 92100 1 0 0 0 0 92101 1 0 0 0 0 95 96 2 0 0 0 0 98 99 1 0 0 0 0 102103 1 0 0 0 0 102104 2 0 0 0 0 M END > CHEM026882 > chemdb > CCC(C)C1NC(=O)C(C(C)C)N(C)C(=O)C2CC3(O)C(NC4=C3C=CC=C4)N2C(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(NC(=O)C(OC(C)=O)N(C)C(=O)C(C(C)C(C)OC(C)=O)N(C)C(=O)C(N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)(C)O)C(C)C > InChI=1S/C73H119N13O18/c1-28-41(11)53-64(95)81(23)56(40(9)10)67(98)82(24)55(39(7)8)65(96)77(19)35-50(89)79(21)59(72(17,18)101)69(100)84(26)58(43(13)44(14)103-45(15)87)68(99)85(27)70(104-46(16)88)61(92)75-52(37(3)4)63(94)83(25)57(42(12)29-2)66(97)78(20)36-51(90)86-49(62(93)80(22)54(38(5)6)60(91)76-53)34-73(102)47-32-30-31-33-48(47)74-71(73)86/h30-33,37-44,49,52-59,70-71,74,101-102H,28-29,34-36H2,1-27H3,(H,75,92)(H,76,91) > LZXREDXOPNVYFH-UHFFFAOYSA-N > C73H119N13O18 > 1466.8023 > 1465.879604069 > 17 > 153.3993669791596 > 0 > 5 > 0 > 0 > 3-[25-(acetyloxy)-7,31-bis(butan-2-yl)-45-hydroxy-19-(2-hydroxypropan-2-yl)-3,9,12,15,18,21,24,30,33-nonamethyl-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-4,10,13,28-tetrakis(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33,36,38-tridecaazatetracyclo[34.10.0.0³⁷,⁴⁵.0³⁹,⁴⁴]hexatetraconta-39(44),40,42-trien-22-yl]butan-2-yl acetate > 4.38 > 0.6357148203333334 > -5.11 > 1 > 4 > 0 > 12.39412413020463 > 11.706248323793101 > 0.5816268524862606 > 366.39000000000004 > 383.15100000000007 > 15 > 0 > 1.13e-02 g/l > 3-[25-(acetyloxy)-45-hydroxy-19-(2-hydroxypropan-2-yl)-4,10,13,28-tetraisopropyl-3,9,12,15,18,21,24,30,33-nonamethyl-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-7,31-bis(sec-butyl)-3,6,9,12,15,18,21,24,27,30,33,36,38-tridecaazatetracyclo[34.10.0.0³⁷,⁴⁵.0³⁹,⁴⁴]hexatetraconta-39(44),40,42-trien-22-yl]butan-2-yl acetate > 0 > Omphalotin D $$$$