21800 -OEChem-10051723023D 73 76 0 1 0 0 0 0 0999 V2000 2.4095 0.0847 1.1757 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8396 -1.0192 1.0555 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3564 2.0787 -1.6233 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 -1.2859 -1.4919 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 1.0857 -0.3901 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6941 -2.3902 0.9862 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0690 1.0315 2.2649 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2827 3.3176 0.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -0.3573 -0.8408 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6678 -1.3869 -0.5036 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0753 -0.9344 -0.9221 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4285 0.3976 -0.1748 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6947 -1.1429 -0.3654 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1107 -2.6855 -1.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 0.9347 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3899 -2.6397 -0.6914 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3145 1.4748 -0.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9037 0.8744 -0.4782 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1057 -2.0361 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 -0.0550 -2.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5339 -1.5897 -0.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 -0.3034 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9993 -0.5889 -0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2463 -3.2951 -1.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1384 1.3050 -1.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 2.0840 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8486 -0.2476 0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2771 0.8633 -0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2546 2.1454 1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 -1.7014 1.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1346 0.9821 1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9011 -1.4691 3.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0561 -2.1822 3.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0454 2.3724 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5499 2.4406 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0332 3.8378 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 -1.5249 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 -0.7662 -2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 -3.5662 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 -2.7318 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1885 0.7595 1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 1.7282 -0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 -3.2622 0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4763 2.2682 0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 -2.9287 -1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -2.3377 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9497 -0.8976 -2.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 0.7993 -2.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4145 0.1841 -2.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -2.3901 -0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6757 -1.4513 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2605 -3.5094 -1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2768 -2.7219 -2.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8177 -4.2721 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2117 1.3662 -2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7315 2.2973 -2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7026 0.6061 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 2.9819 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7399 2.9660 -1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4841 -1.1047 0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8054 1.1343 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8935 1.4869 -1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4525 3.0472 1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9828 -0.3922 3.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 -1.8325 3.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0179 -1.8359 3.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0385 -1.9939 4.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9993 -3.2641 3.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8673 1.7422 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9860 2.1320 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1245 3.8548 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6144 4.1725 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7348 4.5594 -0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 30 1 0 0 0 0 3 17 1 0 0 0 0 3 59 1 0 0 0 0 4 23 2 0 0 0 0 5 28 1 0 0 0 0 5 34 1 0 0 0 0 6 30 2 0 0 0 0 7 31 2 0 0 0 0 8 34 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 38 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 24 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 31 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 31 1 0 0 0 0 29 63 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 M END > DBSALT000851 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CIWBQSYVNNPZIQ-XYWKZLDCSA-N/SDF?record_type=3d > [H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]([H])(O)C[C@]2(C)[C@@]1(OC(=O)CC)C(=O)COC(=O)CC > InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 > CIWBQSYVNNPZIQ-XYWKZLDCSA-N > C28H37FO7 > 504.595 > 504.252331694 > 5 > 73 > 53.16182372889657 > 1 > 1 > 0 > 0 > 2-[(1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxo-14-(propanoyloxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl propanoate > 3.38 > 3.9648921943333306 > -5.04 > 1 > 4 > 0 > 15.573155475930921 > 13.635487455347818 > -3.393396015639091 > 106.97 > 130.04969999999992 > 8 > 0 > 4.62e-03 g/l > betamethasone dipropionate > 0 $$$$