9842127 -OEChem-10061700283D 61 65 0 1 0 0 0 0 0999 V2000 -5.9141 -1.2325 1.2396 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8346 0.3629 -1.1054 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6063 -0.6134 0.5847 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0358 0.7559 0.1569 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5124 0.8357 0.2808 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8587 -0.2736 -0.5909 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1350 -0.3330 0.4624 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0137 -1.6840 -0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8817 1.7583 0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 -1.6714 -0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2737 1.1009 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6816 -0.2608 -0.3694 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9851 2.2186 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2664 -0.9985 2.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 1.1468 -0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4153 -1.1938 -1.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 2.2476 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6383 -0.3655 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9311 -1.1828 -1.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 1.2595 -0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4731 0.2046 -0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0479 -0.3915 -2.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5474 -0.4124 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2479 0.0419 1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0483 -0.1954 -0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4202 -0.4930 2.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5864 -0.6308 1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2672 0.9180 -0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 0.6790 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -0.0292 -1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3298 -1.5174 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3769 -2.6807 -0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9358 2.7265 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4729 1.9344 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1098 -2.0692 0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1322 -2.3724 -1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6005 1.0982 2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0135 1.6966 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 -0.6281 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2435 2.9497 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4672 2.5526 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6805 -0.2925 2.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6672 -1.9899 2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -1.0427 2.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -0.8847 -2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0645 -2.2265 -1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 3.2349 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 -1.0297 2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 -1.6705 -1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1456 -1.7831 -0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1471 2.2456 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4104 -0.4146 -3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3552 -1.4860 -0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -0.3352 1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2130 1.1372 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2728 0.8629 -0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4902 -0.7613 -1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1754 -1.4741 2.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6658 0.1724 2.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 -0.0220 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9198 -1.6743 1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 48 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 29 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 30 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 22 3 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 M END > DB13685 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PCJFRMOEZQQSAX-AIOSZGMZSA-N/SDF?record_type=3d > C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@H]34)OC3CCCC3)[C@@H]1CC[C@@]2(O)C#C > InChI=1S/C25H34O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,8,16,18,20-23,26H,4-7,9-15H2,2H3/t20-,21+,22+,23-,24-,25-/m0/s1 > PCJFRMOEZQQSAX-AIOSZGMZSA-N > C25H34O2 > 366.545 > 366.255880335 > 2 > 61 > 43.67051532545587 > 1 > 1 > 0 > 1 > (1S,2R,10R,11S,14R,15S)-5-(cyclopentyloxy)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-5,7-dien-14-ol > 4.88 > 4.3155537566666675 > -5.24 > 0 > 5 > 0 > 17.594925500188626 > -1.663451704284852 > 29.46 > 111.13369999999998 > 2 > 1 > 2.11e-03 g/l > (1S,2R,10R,11S,14R,15S)-5-(cyclopentyloxy)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-5,7-dien-14-ol > 1 $$$$