70073956 -OEChem-05122418432D 115120 0 1 0 0 0 0 0999 V2000 9.8273 2.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3183 4.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 6.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5594 2.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0215 7.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9594 2.6431 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9632 1.6431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0914 3.1397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0992 1.1398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0871 0.0982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2969 4.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9872 -0.4261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2274 2.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6938 3.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8752 1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 4.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8872 0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1372 -0.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2235 3.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1246 -1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1902 5.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6914 2.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3232 5.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9320 5.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5233 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -5.0571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -4.5571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -3.5571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4235 2.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2914 2.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6944 2.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8336 0.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7265 -0.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 3.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6172 2.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6202 1.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0214 1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0612 2.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2291 3.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4872 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0775 1.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8741 4.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 4.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1030 -0.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4968 0.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9349 0.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5314 4.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6854 3.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9156 3.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 -2.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6093 -1.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5351 1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6873 0.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9109 0.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5151 -1.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9088 -2.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5246 -2.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1255 4.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0881 3.1262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2911 3.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 5.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0722 5.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5387 5.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.9371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -5.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8202 3.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0231 3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -5.4495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -6.1397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -3.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -3.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9835 1.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8295 1.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5993 2.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -7.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -6.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -6.9495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -7.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -8.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -7.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -7.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 33 1 0 0 0 0 18 2 1 6 0 0 0 2 80 1 0 0 0 0 31 3 1 1 0 0 0 36 3 1 1 0 0 0 4 34 1 0 0 0 0 4 37 1 0 0 0 0 5 33 1 0 0 0 0 5 42 1 0 0 0 0 6 36 1 0 0 0 0 6 41 1 0 0 0 0 7 37 2 0 0 0 0 38 8 1 1 0 0 0 8 93 1 0 0 0 0 39 9 1 6 0 0 0 9 47 1 0 0 0 0 40 10 1 1 0 0 0 10102 1 0 0 0 0 11 43 1 0 0 0 0 11 48 1 0 0 0 0 12 44 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 52 1 1 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 27 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 53 1 6 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 17 29 1 1 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 19 54 1 1 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 24 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 25 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 30 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 31 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 31 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 79 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 83 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 36 38 1 0 0 0 0 36 86 1 0 0 0 0 38 39 1 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 87 1 0 0 0 0 40 41 1 0 0 0 0 40 44 1 0 0 0 0 41 45 1 6 0 0 0 41 88 1 0 0 0 0 42 46 1 0 0 0 0 42 89 1 0 0 0 0 42 90 1 0 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 48 50 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 49 51 1 0 0 0 0 49108 1 0 0 0 0 49109 1 0 0 0 0 50110 1 0 0 0 0 50111 1 0 0 0 0 50112 1 0 0 0 0 51113 1 0 0 0 0 51114 1 0 0 0 0 51115 1 0 0 0 0 M END > 70073956 > 1 > 1280 > 12 > 3 > 14 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRBAIAIQAiUAAFgAAPMQPA4PwPgAAAAAAAAADAAAYAADAAAYQADAAAAA== > 3-[(3S,5R,8R,9S,10S,13R,17S)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethyl)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-(ethoxymethoxy)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,17S)-3-[[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethyl)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-14-(ethoxymethoxy)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,17S)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethyl)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-(ethoxymethoxy)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,17S)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethyl)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-(ethoxymethoxy)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,17S)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethyl)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-14-(ethoxymethoxy)-10,13-dimethyl-17-oxidanyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,17S)-3-[(2R,3S,4R,5S,6S)-3,5-bis(ethoxymethyl)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-(ethoxymethoxy)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > InChI=1S/C39H64O12/c1-8-45-22-36(41)25(4)50-33(37(42,23-46-9-2)32(36)44-7)51-28-13-15-34(5)26(19-28)11-12-30-29(34)14-16-35(6)38(43,27-20-31(40)48-21-27)17-18-39(30,35)49-24-47-10-3/h20,25-26,28-30,32-33,41-43H,8-19,21-24H2,1-7H3/t25-,26+,28-,29-,30+,32+,33-,34-,35+,36-,37-,38-,39?/m0/s1 > LNMBLHXZYDLGEC-IZTYWKQQSA-N > 2.4 > 724.43977747 > C39H64O12 > 724.9 > CCOCC1(C(OC(C(C1OC)(COCC)O)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5(C6=CC(=O)OC6)O)OCOCC)C)C)C)O > CCOC[C@@]1([C@@H](O[C@H]([C@@]([C@@H]1OC)(COCC)O)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5(C4(CC[C@@]5(C6=CC(=O)OC6)O)OCOCC)C)C)C)O > 152 > 724.43977747 > 0 > 51 > 12 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 3 40 10 5 14 52 5 15 27 5 16 53 6 17 29 5 19 54 5 18 2 6 31 3 5 36 3 5 41 45 6 38 8 5 39 9 6 $$$$