246520 -OEChem-12090815022D 121124 0 1 0 0 0 0 0999 V2000 15.8563 -3.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9961 -2.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2494 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2494 -1.6074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3834 -2.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5173 -1.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1956 -0.3027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3834 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6073 -2.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1956 -1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5173 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7792 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3994 -3.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5063 0.6478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2494 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5993 -3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6805 -1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5014 -3.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6150 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6639 -3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7326 -2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4848 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7242 -3.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8384 1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7954 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7739 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0846 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9922 -3.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1243 -3.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0631 3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4168 3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2602 -3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3922 -3.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5281 -3.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 -3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7961 -3.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 -3.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -3.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -3.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -3.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 -3.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3340 -2.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0792 -2.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2102 -1.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9859 -0.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7819 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9848 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7330 -2.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9446 -2.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9068 -0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3053 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2401 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2401 -1.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0086 -3.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6175 -3.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8996 0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6294 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2494 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8694 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0887 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2906 -1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5038 -4.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9951 -1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6198 -0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2350 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2666 -4.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0648 -4.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5281 -1.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1210 -2.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0986 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5053 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1891 -2.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3770 0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4244 1.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2999 1.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1816 1.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7749 2.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7945 1.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3878 1.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4779 2.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7239 -4.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5210 -4.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1910 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6698 3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9353 3.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0027 4.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8782 4.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9553 3.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8635 -2.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6605 -2.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9919 -4.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7889 -4.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1314 -2.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9285 -2.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0569 -4.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2598 -4.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1965 -2.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3994 -2.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5278 -4.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3248 -4.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4644 -2.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6674 -2.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5928 -4.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -4.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7324 -2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9353 -2.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -4.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8608 -4.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -2.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 -4.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 -4.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 -2.6363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 -2.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -3.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -3.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -4.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 1 0 0 0 1 28 1 0 0 0 0 2 28 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 1 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 46 1 6 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 47 1 1 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 48 1 6 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 49 1 6 0 0 0 8 11 1 0 0 0 0 8 50 1 0 0 0 0 8 51 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 1 0 0 0 10 12 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 12 56 1 0 0 0 0 12 57 1 0 0 0 0 13 18 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 22 1 0 0 0 0 14 24 1 6 0 0 0 14 60 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 66 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 23 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 21 23 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 25 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 23 76 1 0 0 0 0 24 77 1 0 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 26 1 0 0 0 0 25 80 1 0 0 0 0 25 81 1 0 0 0 0 26 27 1 0 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 27 84 1 0 0 0 0 28 29 1 0 0 0 0 29 32 1 0 0 0 0 29 85 1 0 0 0 0 29 86 1 0 0 0 0 30 87 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 31 90 1 0 0 0 0 31 91 1 0 0 0 0 31 92 1 0 0 0 0 32 33 1 0 0 0 0 32 93 1 0 0 0 0 32 94 1 0 0 0 0 33 34 1 0 0 0 0 33 95 1 0 0 0 0 33 96 1 0 0 0 0 34 35 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 35 36 1 0 0 0 0 35 99 1 0 0 0 0 35100 1 0 0 0 0 36 37 1 0 0 0 0 36101 1 0 0 0 0 36102 1 0 0 0 0 37 38 1 0 0 0 0 37103 1 0 0 0 0 37104 1 0 0 0 0 38 39 1 0 0 0 0 38105 1 0 0 0 0 38106 1 0 0 0 0 39 40 1 0 0 0 0 39107 1 0 0 0 0 39108 1 0 0 0 0 40 41 1 0 0 0 0 40109 1 0 0 0 0 40110 1 0 0 0 0 41 42 1 0 0 0 0 41111 1 0 0 0 0 41112 1 0 0 0 0 42 43 1 0 0 0 0 42113 1 0 0 0 0 42114 1 0 0 0 0 43 44 1 0 0 0 0 43115 1 0 0 0 0 43116 1 0 0 0 0 44 45 1 0 0 0 0 44117 1 0 0 0 0 44118 1 0 0 0 0 45119 1 0 0 0 0 45120 1 0 0 0 0 45121 1 0 0 0 0 M END > 1 > 246520 > 1 > 904 > 2 > 0 > 21 > AAADcfB8MAAAAAAAAAAAAAAAAAAAAYAAAAAyYIAAAAAAAGCIAAAAGgAAAAAADxSggAICCAAABACIAiDSCAAAAAAgAAAACAEAAAgAABIAAQACAAAEwAAIAAOIyPCPgAAAAAAAAADAAAQAACAAAQAACAAAAA== > [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate > hexadecanoic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester > [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate > [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate > palmitic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester > InChI=1/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1 > 15.1 > 624.584532 > C43H76O2 > 625.06234 > CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C > CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C > 26.3 > 624.584532 > 0 > 45 > 8 > 0 > 0 > 0 > 0 > 1 > 1 > 30045090 > 1 > ChemSpider > 215725 > 215725 > http://www.chemspider.com > http://www.chemspider.com/Chemical-Structure.215725.html > 246520 1 > 23 1 5 14 24 6 3 15 5 4 46 6 5 47 5 6 48 6 7 49 6 9 19 5 $$$$