5877 -OEChem-10051723113D 62 65 0 1 0 0 0 0 0999 V2000 2.4244 0.6316 1.8855 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -1.3673 -2.0288 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 1.6343 -0.7806 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 -0.5434 -0.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3129 -1.9789 1.6415 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0192 -2.5177 1.1103 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2353 0.6041 -0.2673 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0702 1.4245 0.3293 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2854 1.1384 -0.3350 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6312 -0.3772 -0.1417 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4083 1.1819 0.5715 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9124 -0.8867 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4636 -1.3029 -0.6112 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6073 2.8535 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 -0.7356 -0.6953 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1071 2.6956 0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3787 2.0410 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 1.7172 -0.2833 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4818 0.8938 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 0.2387 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7727 0.8831 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1971 -0.6188 -2.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -2.1841 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7874 2.7161 0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1057 -0.1844 0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4309 -0.3853 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4239 -2.5956 0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3578 -1.6171 0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4096 -1.6618 0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7412 -1.6971 -0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0447 1.1467 1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 1.3743 -1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6827 -0.5316 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9132 -1.1184 1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 -1.5053 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -2.3260 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 3.4822 1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4765 3.3283 -0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6869 3.2973 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3091 3.0920 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1429 3.0896 0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 1.9445 1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7745 1.8915 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 0.1517 -2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5789 0.9042 -2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9387 1.8759 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7248 -1.4552 -2.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2525 -0.6319 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 0.3058 -2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7538 -2.9549 -0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0099 1.1752 2.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6986 -0.5288 -2.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5088 3.7416 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7913 2.5379 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8331 2.6620 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8063 0.4988 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8054 -1.2407 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5578 -0.3260 1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6019 -3.6481 0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3258 -0.8176 -0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5979 -1.7347 -1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2866 -2.5927 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 51 1 0 0 0 0 2 13 1 0 0 0 0 2 52 1 0 0 0 0 3 21 2 0 0 0 0 4 26 1 0 0 0 0 4 29 1 0 0 0 0 5 28 2 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 33 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 27 2 0 0 0 0 23 50 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 29 30 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > DBSALT001157 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PLBHSZGDDKCEHR-LFYFAGGJSA-N/SDF?record_type=3d > [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])C[C@]([H])(C)C2=CC(=O)C=C[C@]12C > InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1 > PLBHSZGDDKCEHR-LFYFAGGJSA-N > C24H32O6 > 416.514 > 416.21988875 > 5 > 62 > 45.1382976032107 > 1 > 2 > 0 > 1 > 2-[(1S,2R,8S,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,8,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate > 2.58 > 2.0011344309999997 > -4.33 > 0 > 4 > 0 > 14.77503372458045 > 12.610175585466223 > -2.8513561341475704 > 100.9 > 112.19339999999995 > 4 > 1 > 1.93e-02 g/l > depo-medrol > 0 $$$$