11876263 -OEChem-10051719303D 68 71 0 1 0 0 0 0 0999 V2000 3.3154 1.9625 -0.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8361 -0.0850 0.0952 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6133 -1.9012 0.9866 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2569 -1.9463 1.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 1.6595 0.4415 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3127 0.8453 -0.1152 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2134 1.2765 -0.1977 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4862 -0.2363 0.0743 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8680 -0.7239 -0.5101 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4629 1.5079 0.6747 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0665 -0.6311 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2799 -1.1251 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 3.1024 0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1092 3.0098 0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 2.1265 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 1.0052 -1.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9768 0.2454 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 1.7190 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1598 -2.1473 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8532 -0.7852 -2.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 1.2425 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6058 -2.5852 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1649 -0.1433 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5363 -1.5745 0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5622 0.0472 0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6070 -1.1381 0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9594 -1.1682 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7161 0.1378 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7930 -2.3488 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7343 -1.3479 -1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9675 1.4445 1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 1.4559 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 -0.3338 1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 1.1693 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0699 -0.7765 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 -1.2621 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 -1.1902 -1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4307 -2.1489 0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 3.7619 1.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5385 3.5066 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6844 3.6058 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 3.4357 1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1871 3.1870 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4138 2.0272 1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7614 2.0346 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 0.3712 -1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.7141 -2.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6925 1.9540 -1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 2.3320 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9231 -2.1747 1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5131 -2.8921 -0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5174 0.1543 -2.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1931 -1.5785 -2.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8515 -0.9906 -2.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7522 -3.5459 0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8709 -2.7120 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9203 0.5727 0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 -0.8537 0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6763 0.2005 1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8358 0.3029 1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7135 0.1222 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1830 1.0059 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9695 -2.2628 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7691 -2.3978 -0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2823 -3.3033 0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -0.5030 -2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6859 -1.4289 -2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1508 -2.2527 -1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 24 2 0 0 0 0 4 26 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 33 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 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 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 M END > DB01134 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VVOIQBFMTVCINR-WWMZEODYSA-N/SDF?record_type=3d > [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)COC(=O)C(C)(C)C > InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1 > VVOIQBFMTVCINR-WWMZEODYSA-N > C26H38O4 > 414.586 > 414.277009704 > 3 > 68 > 48.29750518223217 > 1 > 0 > 0 > 1 > 2-[(1S,2R,10S,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]-2-oxoethyl 2,2-dimethylpropanoate > 3.90 > 5.572018192333333 > -5.47 > 0 > 4 > 0 > 19.09312025341401 > 17.186235291232776 > -4.81497741426231 > 60.440000000000005 > 117.26139999999997 > 5 > 0 > 1.41e-03 g/l > desoxycorticosterone pivalate > 0 $$$$