70272040 -OEChem-05092413032D 99103 0 1 0 0 0 0 0999 V2000 3.0182 7.2716 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0319 8.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 8.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 9.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5647 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0288 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1628 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5652 14.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 7.5055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3931 6.5055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5271 6.0055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6610 6.5055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3393 7.8102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3393 6.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5271 8.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9229 7.0055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6610 7.5055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7510 5.9987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5431 4.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 8.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 4.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 4.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1493 8.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 7.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 6.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 6.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 4.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 9.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 6.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 4.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2967 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1628 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2967 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1628 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1628 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4307 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4307 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1628 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2967 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0288 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2967 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2967 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0288 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1628 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5652 13.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4312 12.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6992 12.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4312 11.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6992 11.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5652 11.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 5.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 5.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 5.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 5.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 8.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 8.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 6.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 8.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 4.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1523 5.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0131 8.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 9.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7731 8.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 3.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 3.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 6.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 7.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 7.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 7.1485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 7.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 6.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4476 9.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 7.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 8.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 3.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7757 9.9490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 9.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 6.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7928 10.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7598 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6997 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6997 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8938 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7598 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5657 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2967 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7598 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5657 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5647 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0288 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6997 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9682 12.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1622 12.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9682 11.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1622 11.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5652 10.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1021 14.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 0 15 2 1 6 0 0 0 2 74 1 0 0 0 0 19 3 1 1 0 0 0 3 76 1 0 0 0 0 4 25 2 0 0 0 0 5 30 1 0 0 0 0 5 81 1 0 0 0 0 6 32 2 0 0 0 0 7 39 1 0 0 0 0 7 91 1 0 0 0 0 8 40 1 0 0 0 0 8 92 1 0 0 0 0 9 46 1 0 0 0 0 9 93 1 0 0 0 0 10 47 1 0 0 0 0 10 99 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 22 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 53 1 6 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 54 1 1 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 19 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 26 1 6 0 0 0 18 59 1 0 0 0 0 19 60 1 0 0 0 0 20 24 1 0 0 0 0 20 27 1 1 0 0 0 20 28 1 0 0 0 0 21 23 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 24 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 29 2 0 0 0 0 25 30 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 31 2 0 0 0 0 28 75 1 0 0 0 0 29 32 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 32 1 0 0 0 0 31 80 1 0 0 0 0 33 35 1 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 34 36 1 0 0 0 0 34 41 2 0 0 0 0 34 42 1 0 0 0 0 35 36 2 0 0 0 0 35 82 1 0 0 0 0 36 83 1 0 0 0 0 37 40 1 0 0 0 0 37 84 1 0 0 0 0 38 39 2 0 0 0 0 38 85 1 0 0 0 0 39 43 1 0 0 0 0 40 43 2 0 0 0 0 41 44 1 0 0 0 0 41 86 1 0 0 0 0 42 45 2 0 0 0 0 42 87 1 0 0 0 0 43 88 1 0 0 0 0 44 46 2 0 0 0 0 44 89 1 0 0 0 0 45 46 1 0 0 0 0 45 90 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 48 94 1 0 0 0 0 49 51 2 0 0 0 0 49 95 1 0 0 0 0 50 52 2 0 0 0 0 50 96 1 0 0 0 0 51 52 1 0 0 0 0 51 97 1 0 0 0 0 52 98 1 0 0 0 0 M END > 70272040 > 1 > 1100 > 10 > 7 > 4 > AAADcfB8PQAAAAAAAAAAAAAAAAAAAYAAAAAwYMGDAAAAAGDBUAAAGwAACAAAD1SgmAIyBoAAAgCIAqBSAAICAAAgIAAIiAFGCMgINzKCERKAcAAlwBUImYfI7PTPoAABCAAAAADAAAYQADAAAYAADAAAAA== > (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol;phenol > (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phenol > (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phenol > (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phenol > (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phenol > (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;5-[(E)-2-(4-hydroxyphenyl)vinyl]resorcinol;phenol > InChI=1S/C22H29FO5.C14H12O3.C6H6O/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;7-6-4-2-1-3-5-6/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3;1-9,15-17H;1-5,7H/b;2-1+;/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1 > FPUKZFRDHPBOLU-FOPUDWQDSA-N > 714.32041123 > C42H47FO9 > 714.8 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.C1=CC=C(C=C1)O.C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O > C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C.C1=CC=C(C=C1)O.C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O > 176 > 714.32041123 > 0 > 52 > 8 > 0 > 1 > 0 > 0 > 3 > -1 > 1 5 255 > 14 1 6 11 22 5 12 53 6 13 54 5 18 26 6 15 2 6 20 27 5 19 3 5 33 37 8 33 38 8 34 41 8 34 42 8 37 40 8 38 39 8 39 43 8 40 43 8 41 44 8 42 45 8 44 46 8 45 46 8 47 48 8 47 49 8 48 50 8 49 51 8 50 52 8 51 52 8 $$$$