6434253 -OEChem-09082310333D 74 76 0 1 0 0 0 0 0999 V2000 5.7812 -1.8677 1.2725 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8258 -2.2976 -0.5731 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0416 -0.9461 -2.1028 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.5663 0.2776 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9942 0.7795 0.5122 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2511 0.3943 -0.1227 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5427 -0.4955 1.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -0.6842 0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7597 2.5914 -0.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 1.5216 1.2337 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6636 0.8561 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2195 2.2929 1.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4679 2.5687 -1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7777 2.1687 -1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 0.5962 1.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4665 2.8029 0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7573 0.1833 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8738 0.0217 0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1176 -0.8533 0.3202 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0996 0.6417 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6775 -1.5261 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -0.0314 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6764 -2.4957 -1.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 -0.5195 -2.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5885 0.4578 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1320 -1.2979 0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4747 -0.6410 -0.7786 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0052 -2.3954 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4390 -1.9160 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3823 -1.4758 1.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 0.4728 -0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0986 -0.0123 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 -0.4061 2.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 -1.3655 0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5497 -0.5588 1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 -1.6895 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8588 3.6106 -0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6343 2.4129 -1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7894 1.8111 2.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1813 1.6226 2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7777 2.7292 1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 3.1186 1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5829 3.5506 -2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 1.8605 -2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5359 2.1087 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0733 2.9661 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 1.1626 1.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -0.2167 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 3.2207 0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6318 2.6271 -0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 3.5874 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5881 -0.7809 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1025 -0.5967 -0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1176 0.8333 -0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 -0.2528 0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2478 1.5798 -0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -2.2884 0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -3.0140 -2.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 -3.2852 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 -1.9889 -1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 0.0563 -2.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8843 0.1812 -1.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6908 -1.0285 -2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5441 1.3013 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0492 0.8283 0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5060 -0.2806 -0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4755 -1.6913 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5658 -2.7616 -0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0362 -3.2561 0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9312 -1.7291 1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9940 -2.7152 -0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3687 -2.4325 2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8006 -0.6796 2.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0941 -1.1588 -2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 57 1 0 0 0 0 2 21 1 0 0 0 0 2 67 1 0 0 0 0 3 27 1 0 0 0 0 3 74 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 39 1 0 0 0 0 11 14 1 0 0 0 0 11 17 2 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 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 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 20 22 2 0 0 0 0 20 56 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 27 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 29 1 0 0 0 0 27 66 1 0 0 0 0 28 29 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 M END > DB18029 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FCKJYANJHNLEEP-SRLFHJKTSA-N/SDF?record_type=3d > [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCC(O)C(C)(C)O > InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24-,25?,27+/m1/s1 > FCKJYANJHNLEEP-SRLFHJKTSA-N > C27H44O3 > 416.646 > 416.329045277 > 3 > 74 > 0.047301871482228544 > 51.33494705670757 > 1 > 3 > 0 > 0 > (6R)-6-[(1R,3aS,4E,7aR)-4-{2-[(1Z,5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol > 4.579442462666668 > 1 > 0 > 3 > 0 > 15.325111733971047 > 13.849642780244134 > -1.3184890847799178 > 60.69 > 126.42209999999999 > 6 > 1 > 24,25-dihydroxycholecalciferol > 0 $$$$