5281058 -OEChem-01102016003D 72 74 0 1 0 0 0 0 0999 V2000 -7.5250 -0.8830 -0.5595 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 1.3479 -0.4812 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2192 0.9959 0.0182 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0273 0.8575 0.7388 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2003 1.4328 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7178 1.4825 1.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3172 0.5515 -1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3813 1.5933 -0.7618 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6646 2.8684 -0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 1.0323 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 0.7554 -1.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7563 1.1732 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0224 0.9591 -0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 1.1818 -2.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 -0.3365 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3533 1.2125 1.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3703 -0.6910 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5336 0.6015 1.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6665 -2.2035 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0828 -0.3030 0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5755 -0.1397 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6347 -2.8134 -0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6571 -2.9251 1.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3608 -1.2153 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2358 -1.2859 -0.1113 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9980 -2.1021 -0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 -1.6675 -1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8856 -1.4797 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3012 -0.0993 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1733 -0.2160 0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 2.4176 1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 0.7165 2.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5496 0.9278 2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4076 2.5193 2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 0.8339 -2.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5252 -0.5166 -1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3507 2.6890 -0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1088 3.4798 0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 3.1879 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1562 3.1490 -1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 1.6417 -2.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5864 -0.0913 -2.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 1.5934 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5459 1.6417 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0669 1.1808 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5899 1.8104 -2.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 1.3330 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.1267 -2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2312 -0.8134 0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9666 -0.7409 -1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 1.8707 2.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 -0.1800 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4066 -0.3046 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1246 0.7945 2.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6697 -2.3467 0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7622 0.8094 0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0853 -0.0500 1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6243 -2.8473 -1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0062 -3.8439 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2757 -2.2492 -1.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6478 -2.9284 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9541 -3.9714 1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 -2.4662 2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3636 -2.1581 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0464 -3.1251 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3603 -2.1330 -1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3281 -0.8147 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8829 -2.4683 -1.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8239 -2.5803 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -1.2334 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 -1.3292 -0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0413 -0.6308 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 72 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 29 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 11 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 15 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 2 0 0 0 0 16 51 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 20 1 0 0 0 0 18 54 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 25 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 M END > DB15614 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YUGCAAVRZWBXEQ-WHTXLNIXSA-N/SDF?record_type=3d > [H][C@@]1(CC[C@@]2([H])C(\C=C/C3=C(C)CC[C@H](O)C3)=CCC[C@]12C)[C@H](C)CCCC(C)C > InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1 > YUGCAAVRZWBXEQ-WHTXLNIXSA-N > C27H44O > 384.648 > 384.339216037 > 1 > 72 > 0.04284615412990994 > 49.02314695880031 > 1 > 1 > 0 > 0 > (1S)-3-[(1Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol > 7.38 > 7.067527084333333 > -6.01 > 1 > 0 > 3 > 0 > 18.3144263764392 > -1.3490699029454927 > 20.23 > 124.29699999999998 > 7 > 0 > 3.74e-04 g/l > previtamin D3 > 1 $$$$