6918141 -OEChem-10051720463D 85 87 0 1 0 0 0 0 0999 V2000 7.1582 -2.9416 -1.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8067 -0.6293 0.1649 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0642 2.1344 -0.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1126 0.2809 2.4595 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9907 -3.7295 -1.0991 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4142 1.6446 0.0280 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6002 0.7101 0.3794 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3772 0.5838 -0.4179 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9400 -0.4768 1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -0.4916 0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7066 2.6166 -1.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7435 1.3314 1.1688 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0553 1.2075 -0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9546 2.4608 1.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 2.7162 -2.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1608 2.5009 -1.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8506 0.3151 1.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3079 2.5518 0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1391 0.6859 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4923 -0.3946 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5384 -1.4140 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3914 1.2971 -0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2025 -2.2422 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 0.7754 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8766 1.4693 -0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1776 -3.2881 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8971 -1.3607 -1.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7362 -0.4689 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8126 1.5951 0.3180 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7211 -0.4354 1.3841 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0481 0.2416 1.0046 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0907 -1.5975 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0967 -1.8528 0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9242 -2.7445 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2038 -3.0511 -1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9952 0.3251 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 0.1085 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -1.4192 0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9907 -0.3710 2.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1757 -1.4766 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 -0.2652 1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9007 3.6278 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5991 2.3143 -1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3654 1.6894 2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 3.0088 1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 3.2098 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7728 1.8270 2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 3.6898 -2.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 1.9649 -2.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 3.3490 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 2.5103 -2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6355 0.8306 2.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4404 -0.4398 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6427 3.4146 0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2365 2.8791 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 2.3295 -0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -0.2090 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 -0.9166 -0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9598 0.3506 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3166 -0.8941 1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0446 -2.1080 1.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3822 2.2375 -1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3755 0.9079 -1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6943 2.4678 -1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6661 -3.9740 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0080 -2.8179 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5893 -3.9055 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6511 -0.7161 -0.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1820 -0.7343 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3940 -1.9730 -2.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3830 2.3002 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8403 -1.4332 1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6424 0.4376 1.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5648 -3.4690 -1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 -2.5112 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 -1.6735 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8886 2.9911 -0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8697 1.1702 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2083 -2.4312 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6607 -1.6561 1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1508 -3.6776 0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8728 -2.2486 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8210 -3.7012 -2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9736 -2.1401 -1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5523 -3.9117 -1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 74 1 0 0 0 0 2 31 1 0 0 0 0 2 33 1 0 0 0 0 3 29 1 0 0 0 0 3 77 1 0 0 0 0 4 30 1 0 0 0 0 4 78 1 0 0 0 0 5 35 1 0 0 0 0 5 85 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 15 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 44 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 22 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 23 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 24 2 0 0 0 0 22 62 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 29 31 1 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 34 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 35 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 M END > DB05295 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FZEXGDDBXLBRTD-AYIMTCTASA-N/SDF?record_type=3d > [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O > InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1 > FZEXGDDBXLBRTD-AYIMTCTASA-N > C30H50O5 > 490.725 > 490.36582471 > 5 > 85 > 59.69687221123784 > 1 > 4 > 0 > 0 > (1R,2R,3R,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol > 5.04 > 3.6734305463333334 > -4.67 > 1 > 3 > 0 > 14.22827382578496 > 13.375304261394838 > -1.253931336901632 > 90.15 > 143.53849999999997 > 10 > 1 > 1.05e-02 g/l > (1R,2R,3R,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol > 0 $$$$