21826 -OEChem-02072010353D 79 83 0 1 0 0 0 0 0999 V2000 2.7478 0.3155 1.1619 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3454 -1.2660 0.9578 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -3.5452 0.4044 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7171 1.9553 -1.8649 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1441 -1.7028 -1.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2998 0.6174 -0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 1.6927 2.3752 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1473 2.8880 -0.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0573 -0.5151 -0.9403 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2010 -1.4273 -0.4428 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5961 -0.9232 -0.8377 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1626 -1.3392 -0.4539 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8181 0.4973 -0.2110 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7782 -2.7948 -0.7322 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7591 -2.8269 -0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2464 0.8609 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6439 1.4716 -0.5326 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2725 1.0459 -0.4907 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6768 -1.9140 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 -0.3794 -2.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 -0.9186 -1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 -1.3974 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5601 -2.6041 1.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2646 -0.0279 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5575 1.3471 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 2.3550 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 0.5133 -0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -2.8594 2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -2.7789 1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2186 0.1852 0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4389 2.5726 1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3793 1.5005 1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8103 1.8723 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3222 1.8446 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9625 1.5078 0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6414 2.5879 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4905 1.4484 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4819 0.1409 1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1853 -1.4360 0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6672 -0.8598 -1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 -3.2354 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2185 -3.6085 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -3.0027 -1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1095 0.7771 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 1.5729 -0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 2.3398 0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -2.1149 0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5541 -2.8743 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2906 -1.3122 -2.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7114 0.3863 -2.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -0.1000 -2.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2772 -1.3553 -1.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8086 -2.1137 -0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.5519 -2.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0987 2.2817 -2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6352 1.4620 -2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8426 3.1911 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 2.8696 -1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5124 0.8453 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 1.1398 -1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -2.7557 2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9279 -2.1404 3.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8472 -3.8759 3.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3674 -2.0430 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6614 -2.6441 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -3.7862 2.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8972 -0.6015 1.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5455 3.5372 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6643 2.8255 -0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6427 1.1289 -1.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5677 2.6373 2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9613 3.5780 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1516 2.3835 2.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9996 1.2185 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7701 0.6758 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8814 2.4054 0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4178 0.1539 1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6409 -0.6436 0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0268 -0.1506 2.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 17 1 0 0 0 0 4 58 1 0 0 0 0 5 21 2 0 0 0 0 6 27 1 0 0 0 0 6 33 1 0 0 0 0 7 32 2 0 0 0 0 8 33 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 27 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 2 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 31 2 0 0 0 0 26 57 1 0 0 0 0 27 59 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 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 32 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 68 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 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 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 M END > DBSALT000861 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TZIZWYVVGLXXFV-FLRHRWPCSA-N/SDF?record_type=3d > [H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)COC(=O)CC(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C > InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1 > TZIZWYVVGLXXFV-FLRHRWPCSA-N > C30H41FO7 > 532.649 > 532.283631823 > 6 > 79 > -2.3571032609218998e-07 > 56.0418916638839 > 1 > 1 > 0 > 0 > 2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethyl 3,3-dimethylbutanoate > 3.90 > 4.117414000666667 > -5.23 > 1 > 0 > 5 > 0 > 15.464581854137773 > 13.633919419871257 > -3.3934422010325274 > 99.13 > 138.9929 > 6 > 0 > 3.14e-03 g/l > (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one > 0 $$$$