6918178 -OEChem-10051722263D 64 67 0 1 0 0 0 0 0999 V2000 -4.9047 2.9630 1.2219 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 -0.6137 1.0556 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 -1.9931 -2.3156 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7528 -0.7579 0.8276 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 2.8374 0.2891 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4213 1.3551 -1.2266 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8385 -1.4835 0.1594 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3939 -1.2533 1.8939 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2597 0.7477 -0.4038 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3771 -0.4058 -0.9293 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0875 0.0004 -1.1529 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7000 0.4809 0.2075 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6460 0.0328 -0.3636 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1805 -0.9420 -2.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6823 1.1818 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6401 -0.9373 -1.5879 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8152 1.5622 0.8982 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2377 0.8217 0.0784 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8874 -1.1774 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3239 1.9608 -1.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 -0.8635 -1.8642 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9305 -0.4002 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 0.9554 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6171 -0.6232 -2.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5434 2.0408 -0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8183 1.1485 1.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9401 -1.0596 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1956 1.3419 1.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8216 0.4929 2.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -1.4687 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4621 -0.6532 1.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 -2.2421 2.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -3.0488 2.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -1.2112 -0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1324 0.8147 -1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 -0.3086 -2.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8711 -1.9557 -2.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7829 0.3691 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2538 2.0329 1.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8373 -1.9687 -1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1466 1.6742 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 -1.4493 -2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7593 -2.0720 -1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8566 2.7974 -0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 2.3328 -1.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8477 1.7307 -2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 -0.0979 -2.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -1.3542 -3.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6593 -0.7155 -2.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4484 0.3589 -3.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2886 2.9892 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6138 2.0984 -1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 2.0090 -1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4027 2.0021 1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 3.4699 0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 -1.9261 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3354 1.3706 1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9589 0.6762 1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1942 0.7908 3.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0041 -2.9181 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7343 -1.5314 3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2867 -3.7740 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0684 -3.5956 3.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0103 -2.3971 2.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 12 1 0 0 0 0 3 21 1 0 0 0 0 4 13 1 0 0 0 0 4 30 1 0 0 0 0 5 17 1 0 0 0 0 5 55 1 0 0 0 0 6 23 2 0 0 0 0 7 30 2 0 0 0 0 8 31 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 34 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 35 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 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 24 1 0 0 0 0 16 40 1 0 0 0 0 17 41 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 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 29 2 0 0 0 0 26 54 1 0 0 0 0 27 31 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 M END > DBSALT001867 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BDSYKGHYMJNPAB-LICBFIPMSA-N/SDF?record_type=3d > [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C > InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1 > BDSYKGHYMJNPAB-LICBFIPMSA-N > C25H31ClF2O5 > 484.96 > 484.1828081 > 4 > 64 > 48.10160084390075 > 1 > 1 > 0 > 0 > (1R,2S,8S,10S,11S,13S,14R,15S,17S)-14-(2-chloroacetyl)-1,8-difluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl propanoate > 3.81 > 3.8381034999999986 > -4.81 > 0 > 4 > 0 > 14.406867048952655 > 13.545719243374311 > -3.3935251781657243 > 80.67 > 119.14569999999998 > 5 > 1 > 7.57e-03 g/l > (1R,2S,8S,10S,11S,13S,14R,15S,17S)-14-(2-chloroacetyl)-1,8-difluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl propanoate > 0 $$$$