9980241 -OEChem-09011814233D 60 63 0 1 0 0 0 0 0999 V2000 -1.9093 0.3001 -1.2554 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3136 -0.7482 -1.8416 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 1.5839 1.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 -1.5295 0.5442 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3927 0.9690 -0.1631 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6663 1.3328 -1.6113 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 3.2583 -0.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1335 -0.5251 0.3056 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0096 -1.4819 -0.1664 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3542 -1.1923 0.4809 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7922 0.2703 0.1258 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7140 0.9033 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3432 -1.1321 -0.4722 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6759 1.3111 0.4425 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2324 0.6079 0.6804 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6232 -2.8723 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4008 -2.2168 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 -2.6257 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -0.5990 1.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7957 -1.9042 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 -0.4894 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3191 0.6554 2.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6832 -0.7102 0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 1.9793 0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9557 -3.6109 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 -0.2510 -0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7653 2.2228 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 0.7673 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6538 1.1199 -0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 2.2734 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2985 2.3337 -0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1319 -1.3436 -1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 -1.2969 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 0.9915 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 1.6301 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9193 2.2549 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 -3.6026 -0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5434 -3.2214 1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -3.2229 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 -2.2432 -1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 0.2003 2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4832 -0.5027 2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 -1.5456 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8269 -2.0423 1.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5043 -2.6284 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 1.5757 2.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3642 0.6234 2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8065 -0.1848 2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0722 2.8365 0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 -1.2775 -2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0026 2.4511 1.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 -3.4264 -0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 -4.6485 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9255 -1.0538 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0277 3.2297 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6614 1.2467 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 1.2098 -0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5966 1.8195 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7789 1.8793 0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6146 3.3786 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 50 1 0 0 0 0 3 14 1 0 0 0 0 3 51 1 0 0 0 0 4 23 2 0 0 0 0 5 28 1 0 0 0 0 5 30 1 0 0 0 0 6 29 2 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 14 36 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 25 2 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 26 2 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 28 1 0 0 0 0 24 27 2 0 0 0 0 24 49 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 30 31 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 M END > DB14634 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DEFOZIFYUBUHHU-IYQKUMFPSA-N/SDF?record_type=3d > [H][C@@]12CC(=C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C > InChI=1S/C24H29FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,17-19,28,30H,1,5-6,9,11-12H2,2-4H3/t17-,18-,19-,21-,22-,23-,24-/m0/s1 > DEFOZIFYUBUHHU-IYQKUMFPSA-N > C24H29FO6 > 432.488 > 432.194816817 > 5 > 60 > 44.61474288200598 > 1 > 2 > 0 > 1 > 2-[(1R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-9a,11a-dimethyl-2-methylidene-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate > 2.08 > 1.8530030089999996 > -4.17 > 0 > 4 > 0 > 13.65745061441078 > 12.116866835562666 > -3.3936545302549996 > 100.9 > 111.34489999999995 > 4 > 1 > 2.92e-02 g/l > 2-[(1R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-9a,11a-dimethyl-2-methylidene-7-oxo-3H,3aH,3bH,4H,5H,10H,11H-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate > 0 $$$$