5471851 -OEChem-09272320512D 82 84 0 1 0 0 0 0 0999 V2000 2.6229 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 -1.7399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 -0.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7745 0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7946 2.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 0.6721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1527 1.6720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2065 0.3673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2065 1.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6229 1.1720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0188 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 2.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -0.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8848 1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 -0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 2.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7948 2.1789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8848 0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8028 3.2205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0027 3.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 3.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 -1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2847 1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2847 1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6746 4.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -3.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5348 3.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2846 1.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6102 -3.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 -2.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 -4.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6317 -4.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8062 -0.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 2.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6691 2.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3412 0.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6202 -0.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4173 -0.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 -1.1725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 -0.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 -0.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7727 -0.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7727 2.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 3.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 2.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4217 0.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8040 3.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4622 3.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 4.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4998 4.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1106 -1.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9462 -0.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3797 2.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6941 2.7791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3129 1.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7442 1.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5885 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8252 1.6109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7061 -1.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -2.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6996 1.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3853 0.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2946 4.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6770 5.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0546 4.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5325 2.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0730 3.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2169 -3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3134 -3.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 -2.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8166 -5.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6921 -5.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7395 -4.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -4.3069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7596 -4.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3945 0.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 59 1 0 0 0 0 2 25 1 0 0 0 0 2 70 1 0 0 0 0 3 25 2 0 0 0 0 4 32 1 0 0 0 0 4 82 1 0 0 0 0 5 32 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 1 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 6 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 37 1 6 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 11 18 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 22 1 1 0 0 0 13 25 1 0 0 0 0 13 43 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 1 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 1 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 27 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 28 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 26 29 1 0 0 0 0 26 31 2 0 0 0 0 27 30 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 32 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 33 1 0 0 0 0 30 34 2 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 M END > 5471851 > 1 > 1000 > 5 > 3 > 10 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAgQAAAAAAAAECAAAAAGgAACAAADxSggAICCAAAAgCIAiDSCAAAAAAgAAAACAEAAAgIEBIAAQAAQAAEgAAIgAPKyPCPgAAAAAAAAAAAAAAAAAAAAYAADAAAAA== > (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylene-heptanoic acid > (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-(1-methylethenyl)-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methyleneheptanoic acid > (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid > (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid > (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(3-hydroxy-3-oxopropyl)-3a,6,9b-trimethyl-2-oxidanyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylidene-heptanoic acid > (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrobenz[e]inden-3-yl]-5-isopropyl-hex-5-enoic acid > InChI=1S/C31H46O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h12-13,18,21-22,25,27,32H,3,5,9-11,14-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1 > KVAQLXUMUVEKGR-SMFZDKLCSA-N > 6.4 > 498.33452456 > C31H46O5 > 498.7 > CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC(C3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O > CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O > 94.8 > 498.33452456 > 0 > 36 > 7 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 1 6 13 22 5 17 24 5 19 26 5 6 15 5 7 16 6 8 37 6 $$$$