70074197 -OEChem-05112416532D 114119 0 1 0 0 0 0 0999 V2000 8.9613 2.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3572 6.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6933 2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9923 7.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0934 3.0091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0972 2.0091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2254 3.5058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2331 1.5058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2211 0.4642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1211 -0.0601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3613 3.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3652 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4309 4.4784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8278 3.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0092 1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0212 0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4192 4.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2712 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3575 4.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1337 -1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3570 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2586 -1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7602 5.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8254 3.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7659 5.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9660 6.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0989 6.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.1911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5574 3.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -3.1911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -4.1911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4254 2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8284 2.4426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9676 1.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8605 -0.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 3.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7512 2.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1554 1.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6516 5.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1952 3.1796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3631 3.9918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6212 1.4067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2114 2.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2370 -0.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6308 0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0080 4.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2881 5.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0689 0.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 -0.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6654 4.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8193 4.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0495 3.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3495 -1.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7433 -1.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 1.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 1.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0449 0.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -1.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0428 -1.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 -2.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2221 3.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 3.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1766 4.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8961 4.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5319 6.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 3.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1571 3.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1175 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9635 2.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 3.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -2.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.3811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -3.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -5.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -6.2737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -5.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -6.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -6.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -6.2737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -5.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -7.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -7.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -7.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -7.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -8.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -8.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -7.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -7.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -8.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -8.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 32 1 0 0 0 0 30 2 1 1 0 0 0 35 2 1 1 0 0 0 3 33 1 0 0 0 0 3 36 1 0 0 0 0 4 32 1 0 0 0 0 4 38 1 0 0 0 0 5 35 1 0 0 0 0 5 40 1 0 0 0 0 6 36 2 0 0 0 0 37 7 1 1 0 0 0 7 44 1 0 0 0 0 39 8 1 6 0 0 0 8 45 1 0 0 0 0 41 9 1 1 0 0 0 9 46 1 0 0 0 0 10 44 1 0 0 0 0 10 47 1 0 0 0 0 11 46 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 13 51 1 1 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 26 1 1 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 52 1 6 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 28 1 1 0 0 0 17 23 1 0 0 0 0 17 27 1 0 0 0 0 17 53 1 1 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 24 1 0 0 0 0 20 31 1 1 0 0 0 20 58 1 0 0 0 0 21 24 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 29 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 30 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 30 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 79 1 0 0 0 0 31 33 1 0 0 0 0 31 34 2 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 36 1 0 0 0 0 34 84 1 0 0 0 0 35 37 1 0 0 0 0 35 85 1 0 0 0 0 37 39 1 0 0 0 0 37 86 1 0 0 0 0 38 42 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 39 41 1 0 0 0 0 39 89 1 0 0 0 0 40 41 1 0 0 0 0 40 43 1 6 0 0 0 40 90 1 0 0 0 0 41 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 44 98 1 0 0 0 0 44 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 45102 1 0 0 0 0 46103 1 0 0 0 0 46104 1 0 0 0 0 47 49 1 0 0 0 0 47105 1 0 0 0 0 47106 1 0 0 0 0 48 50 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 49109 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 50112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 M END > 70074197 > 1 > 1160 > 11 > 0 > 16 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAAAAAAD1SwgAMCCAAABACIAiDSCAAAAAAgAAAACAAAAEgRBAIAIQAiEAAFgAAOIQPA4PwPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-(ethoxymethoxy)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyl-2-oxanyl]oxy]-14-(ethoxymethoxy)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyloxan-2-yl]oxy-14-(ethoxymethoxy)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyloxan-2-yl]oxy-14-(ethoxymethoxy)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyl-oxan-2-yl]oxy-14-(ethoxymethoxy)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethoxy)-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-(ethoxymethoxy)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > InChI=1S/C39H64O11/c1-8-42-22-46-33-25(4)49-36(35(34(33)41-7)47-23-43-9-2)50-28-13-16-37(5)27(20-28)11-12-31-30(37)14-17-38(6)29(26-19-32(40)45-21-26)15-18-39(31,38)48-24-44-10-3/h19,25,27-31,33-36H,8-18,20-24H2,1-7H3/t25-,27+,28-,29+,30-,31+,33-,34+,35-,36-,37-,38+,39-/m0/s1 > LZRHATBCZMIZDQ-VCELIGAXSA-N > 4.7 > 708.44486285 > C39H64O11 > 708.9 > CCOCOC1C(OC(C(C1OC)OCOCC)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)OCOCC)C)C)C > CCOCO[C@H]1[C@@H](O[C@H]([C@H]([C@@H]1OC)OCOCC)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)OCOCC)C)C)C > 109 > 708.44486285 > 0 > 50 > 13 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 5 13 51 5 14 26 5 15 52 6 16 28 5 17 53 5 30 2 5 35 2 5 20 31 5 40 43 6 37 7 5 39 8 6 41 9 5 $$$$