94330 CDK 1019211605 38 41 0 0 0 0 0 0 0 0999 V2000 6.6263 1.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 0.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4633 2.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9695 1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8074 0.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 0.5001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0993 -0.3249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3848 -0.7374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6703 -0.3249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8799 0.7515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3848 0.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -0.7431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6703 0.5001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8799 -0.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3613 0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 1.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 -1.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 -2.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1549 -0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9259 0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5481 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 -0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 -2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3012 0.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7226 1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3909 1.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1439 1.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8122 1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5653 1.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2335 1.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9867 1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6549 1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1734 -1.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9947 -1.0833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2776 0.0257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 14 2 1 1 0 0 0 3 23 2 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 26 2 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 1 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 36 1 6 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 37 1 1 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 38 1 6 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 1 0 0 0 15 16 1 0 0 0 0 17 20 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 21 24 1 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 25 26 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 M END > CHEBI:182777 > Cortisol octanoate > 2 > [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octanoate > C29H44O6 > 488.665 > 488.31379 > 0 > O[C@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)([C@@H](O)C2)[H])[H])(CC1)[H])C)C(=O)COC(=O)CCCCCCC > InChI=1S/C29H44O6/c1-4-5-6-7-8-9-25(33)35-18-24(32)29(34)15-13-22-21-11-10-19-16-20(30)12-14-27(19,2)26(21)23(31)17-28(22,29)3/h16,21-23,26,31,34H,4-15,17-18H2,1-3H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1 > VWVPRYMOFYIOOZ-KAQKJVHQSA-N > 6678-14-4 > 6678-14-4 $$$$