4369270 -OEChem-02082014343D 61 65 0 1 0 0 0 0 0999 V2000 -0.5692 -3.1359 0.0563 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5663 2.0572 1.0182 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0746 1.7315 -0.7522 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7228 1.1208 0.7332 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3128 -1.7302 0.2026 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1369 -1.4684 -0.3182 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4350 0.0464 -0.4967 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4197 -0.9169 -0.5743 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9195 0.3426 -0.9420 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9177 -0.3634 0.0286 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3826 0.7430 -1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 -0.1153 -1.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0203 0.0234 0.5190 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1953 -2.1706 0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5209 -1.3807 1.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6291 -1.8668 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9299 -0.8137 1.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2271 1.8691 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5103 -1.8456 -1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9605 0.2904 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 -0.1693 -2.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2597 2.5113 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2138 1.7957 1.3862 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3902 0.5639 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6767 1.4499 -0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4848 0.3439 0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5675 1.0878 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2064 -1.9492 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 0.4962 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9301 -0.2646 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8122 1.0957 -2.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0461 1.6565 -0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 0.5186 -2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5068 -0.8228 -2.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3634 0.8912 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0549 -3.2570 0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0693 -1.8937 1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1793 -0.6077 2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4088 -2.2436 2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 -2.3238 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8356 -2.3593 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6568 -1.6344 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -0.2177 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5092 2.4122 -1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2074 2.0322 -1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0332 -2.4153 -0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 -1.2911 -1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0698 -2.5649 -1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0212 0.1150 1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 -0.1904 2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 -0.0953 -2.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8913 -1.2133 -2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6474 0.4202 -3.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 3.5600 0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2505 2.5154 0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0859 2.2010 2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -3.6201 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1172 2.3885 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5382 0.9767 -1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6097 -0.2488 1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6933 3.0211 1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 57 1 0 0 0 0 2 23 1 0 0 0 0 2 61 1 0 0 0 0 3 25 1 0 0 0 0 3 27 1 0 0 0 0 4 27 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 29 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 18 1 0 0 0 0 9 21 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 13 35 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 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 M END > DB04177 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XZTUSOXSLKTKJQ-CESUGQOBSA-N/SDF?record_type=3d > [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2 > InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1 > XZTUSOXSLKTKJQ-CESUGQOBSA-N > C23H34O4 > 374.5137 > 374.245709576 > 3 > 61 > 0.677037007542098 > 42.57482655792993 > 1 > 2 > 0 > 1 > 4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one > 2.72 > 3.0673545870000005 > -4.19 > 0 > 0 > 5 > -1 > 18.29639631666254 > 7.182636224383349 > 0.25300168391701305 > 66.76 > 103.64059999999998 > 1 > 1 > 2.44e-02 g/l > 11-[(1S,3aS,3bR,4R,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H-cyclopenta[a]phenanthren-4-yl]-N-butyl-N-methylundecanamide > 0 $$$$