6918774 -OEChem-05132401142D 82 86 0 1 0 0 0 0 0999 V2000 2.5357 -2.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5519 -0.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4608 0.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6064 -1.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 -1.1050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.6051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.1119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 -0.6051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2787 -2.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0789 -2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 0.9296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 -1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 0.4158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7056 -1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 -0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.1607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.0758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2709 -1.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7977 2.0143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6726 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 2.5712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8467 -3.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 -3.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6726 2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5987 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9222 2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7173 3.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -2.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0786 1.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 0.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 -1.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2164 -1.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2306 -2.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 -2.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1805 -1.4726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9379 -1.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3397 -0.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -2.7807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 1.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8722 -1.3806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6884 -1.7568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 -2.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8535 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2674 1.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8817 0.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2835 1.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2628 2.8864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 -3.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -4.1093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -3.8791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 -3.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 -4.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 -3.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2835 1.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8817 2.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2218 3.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3794 2.7971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6226 1.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 0.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3372 3.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7101 4.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0973 3.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0001 0.1233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 1 0 0 0 1 77 1 0 0 0 0 24 2 1 6 0 0 0 2 78 1 0 0 0 0 3 32 1 0 0 0 0 3 82 1 0 0 0 0 4 32 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 19 1 1 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 35 1 6 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 23 1 1 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 25 1 6 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 36 1 6 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 14 1 0 0 0 0 11 22 2 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 21 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 14 41 1 1 0 0 0 15 22 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 24 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 20 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 18 32 1 1 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 24 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 28 1 0 0 0 0 26 33 1 1 0 0 0 26 62 1 0 0 0 0 27 31 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 31 1 0 0 0 0 28 34 1 6 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 M END > 6918774 > 1 > 908 > 4 > 3 > 1 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAADAAAAAGgAACAAADxSggAICCAAAAgCIAiDSCAAAAAAgAAAACAEAAAgBEBIAAQAAQAAEgAAJAAOIyPCPgAAAAAAAAADAAAYAADCAAAAAAAAAAA== > (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10,11-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid > InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 > HFGSQOYIOKBQOW-ZSDYHTTISA-N > 6.4 > 472.35526001 > C30H48O4 > 472.7 > CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O > C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O > 77.8 > 472.35526001 > 0 > 34 > 11 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 1 5 14 41 5 18 32 5 24 2 6 26 33 5 28 34 6 5 19 5 6 35 6 7 23 5 8 25 6 9 36 6 $$$$